(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)

C261H414N52O93S2 — CID 165109891

IUPAC(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)
SMILESO=C=O.O=C=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCNC(=O)CCC(CC(=O)c2ccc(CCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cn(CCOCCOCCOCCNC(=O)CC[C@H](CC(=O)c3ccc(CCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)O)nn2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C130H209N25O45S.C129H205N27O44S.2CO2/c1-90-120(168)144-100(26-28-114(165)166)107(159)83-95(10-9-32-139-128(132)133)121(169)146-103(82-93-18-24-99(157)25-19-93)124(172)149-115(91(2)156)125(173)145-101(118(131)167)11-6-8-36-155-87-98(153-154-155)85-104(123(171)141-90)147-122(170)102(12-5-7-31-135-113(164)88-200-81-80-199-51-46-181-40-34-137-110(161)27-22-96(127(175)176)84-106(158)94-20-15-92(16-21-94)17-23-97-86-140-119-117(142-97)126(174)152-129(134)151-119)143-112(163)30-38-179-43-48-184-53-57-188-61-65-192-69-73-196-77-79-198-75-71-194-67-63-190-59-55-186-50-45-182-41-35-138-111(162)29-37-178-42-47-183-52-56-187-60-64-191-68-72-195-76-78-197-74-70-193-66-62-189-58-54-185-49-44-180-39-33-136-109(160)14-4-3-13-108-116-105(89-201-108)148-130(177)150-116;1-89-119(168)142-100(23-25-113(165)166)107(160)81-94(8-7-28-137-127(131)132)120(169)144-102(80-92-15-21-99(158)22-16-92)123(172)147-114(90(2)157)124(173)143-101(117(130)167)9-5-6-32-155-86-98(151-153-155)84-104(121(170)139-89)145-122(171)103(83-97-87-156(154-152-97)33-39-183-45-51-186-48-42-181-37-30-135-110(162)24-19-95(126(175)176)82-106(159)93-17-12-91(13-18-93)14-20-96-85-138-118-116(140-96)125(174)150-128(133)149-118)141-112(164)27-35-179-41-47-185-53-57-190-61-65-194-69-73-198-77-79-200-75-71-196-67-63-192-59-55-188-50-44-182-38-31-136-111(163)26-34-178-40-46-184-52-56-189-60-64-193-68-72-197-76-78-199-74-70-195-66-62-191-58-54-187-49-43-180-36-29-134-109(161)11-4-3-10-108-115-105(88-201-108)146-129(177)148-115;2*2-1-3/h15-16,18-21,24-25,86-87,90-91,95-96,100-105,108,115-116,156-157H,3-14,17,22-23,26-85,88-89H2,1-2H3,(H2,131,167)(H,135,164)(H,136,160)(H,137,161)(H,138,162)(H,141,171)(H,143,163)(H,144,168)(H,145,173)(H,146,169)(H,147,170)(H,149,172)(H,165,166)(H,175,176)(H4,132,133,139)(H2,148,150,177)(H3,134,140,151,152,174);12-13,15-18,21-22,85-87,89-90,94-95,100-105,108,114-115,157-158H,3-11,14,19-20,23-84,88H2,1-2H3,(H2,130,167)(H,134,161)(H,135,162)(H,136,163)(H,139,170)(H,141,164)(H,142,168)(H,143,173)(H,144,169)(H,145,171)(H,147,172)(H,165,166)(H,175,176)(H4,131,132,137)(H2,146,148,177)(H3,133,138,149,150,174);;/t90-,91+,95+,96?,100-,101+,102+,103-,104+,105+,108+,115-,116+;89-,90+,94+,95-,100-,101+,102-,103+,104+,105+,108+,114-,115+;;/m11../s1
InChIKeyZTPZSOJRICWRJA-WFZCUIOPSA-N
MW5832.59 g/mol
LogP-8.41
Rot. Bonds220

About (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)

(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) (PubChem CID 165109891) has the molecular formula C261H414N52O93S2 and a molecular weight of 5832.59 g/mol. Its IUPAC name is (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide).

Molecular Properties

Compound Name(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)
PubChem CID165109891
Molecular FormulaC261H414N52O93S2
Molecular Weight5832.59 g/mol
Exact Mass5828.87
IUPAC Name(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)
SMILESO=C=O.O=C=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCNC(=O)CCC(CC(=O)c2ccc(CCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cn(CCOCCOCCOCCNC(=O)CC[C@H](CC(=O)c3ccc(CCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)O)nn2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C130H209N25O45S.C129H205N27O44S.2CO2/c1-90-120(168)144-100(26-28-114(165)166)107(159)83-95(10-9-32-139-128(132)133)121(169)146-103(82-93-18-24-99(157)25-19-93)124(172)149-115(91(2)156)125(173)145-101(118(131)167)11-6-8-36-155-87-98(153-154-155)85-104(123(171)141-90)147-122(170)102(12-5-7-31-135-113(164)88-200-81-80-199-51-46-181-40-34-137-110(161)27-22-96(127(175)176)84-106(158)94-20-15-92(16-21-94)17-23-97-86-140-119-117(142-97)126(174)152-129(134)151-119)143-112(163)30-38-179-43-48-184-53-57-188-61-65-192-69-73-196-77-79-198-75-71-194-67-63-190-59-55-186-50-45-182-41-35-138-111(162)29-37-178-42-47-183-52-56-187-60-64-191-68-72-195-76-78-197-74-70-193-66-62-189-58-54-185-49-44-180-39-33-136-109(160)14-4-3-13-108-116-105(89-201-108)148-130(177)150-116;1-89-119(168)142-100(23-25-113(165)166)107(160)81-94(8-7-28-137-127(131)132)120(169)144-102(80-92-15-21-99(158)22-16-92)123(172)147-114(90(2)157)124(173)143-101(117(130)167)9-5-6-32-155-86-98(151-153-155)84-104(121(170)139-89)145-122(171)103(83-97-87-156(154-152-97)33-39-183-45-51-186-48-42-181-37-30-135-110(162)24-19-95(126(175)176)82-106(159)93-17-12-91(13-18-93)14-20-96-85-138-118-116(140-96)125(174)150-128(133)149-118)141-112(164)27-35-179-41-47-185-53-57-190-61-65-194-69-73-198-77-79-200-75-71-196-67-63-192-59-55-188-50-44-182-38-31-136-111(163)26-34-178-40-46-184-52-56-189-60-64-193-68-72-197-76-78-199-74-70-195-66-62-191-58-54-187-49-43-180-36-29-134-109(161)11-4-3-10-108-115-105(88-201-108)146-129(177)148-115;2*2-1-3/h15-16,18-21,24-25,86-87,90-91,95-96,100-105,108,115-116,156-157H,3-14,17,22-23,26-85,88-89H2,1-2H3,(H2,131,167)(H,135,164)(H,136,160)(H,137,161)(H,138,162)(H,141,171)(H,143,163)(H,144,168)(H,145,173)(H,146,169)(H,147,170)(H,149,172)(H,165,166)(H,175,176)(H4,132,133,139)(H2,148,150,177)(H3,134,140,151,152,174);12-13,15-18,21-22,85-87,89-90,94-95,100-105,108,114-115,157-158H,3-11,14,19-20,23-84,88H2,1-2H3,(H2,130,167)(H,134,161)(H,135,162)(H,136,163)(H,139,170)(H,141,164)(H,142,168)(H,143,173)(H,144,169)(H,145,171)(H,147,172)(H,165,166)(H,175,176)(H4,131,132,137)(H2,146,148,177)(H3,133,138,149,150,174);;/t90-,91+,95+,96?,100-,101+,102+,103-,104+,105+,108+,115-,116+;89-,90+,94+,95-,100-,101+,102-,103+,104+,105+,108+,114-,115+;;/m11../s1
InChIKeyZTPZSOJRICWRJA-WFZCUIOPSA-N
XLogP-8.41
TPSA1981.83 Ų
H-Bond Donors45
H-Bond Acceptors110
Rotatable Bonds220
Heavy Atoms408
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005832.59
LogP ≤ 5-8.41
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 10110

Analyze (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) with MolForge

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Related Compounds

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[2-[2-[2-[4-[(2S)-3-[[(6S,9R,12R,15S,18R,21R,24S)-6-carbamoyl-12-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxo-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 164964322
(6S,9R,12R,15R,18R,21R,24S)-24-[[2-[2-[2-[2-[[(6S,9R,12R,15R,18R,21R,24S)-24-[[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-9-(4-aminobutyl)-12-(2-amino-2-oxoethyl)-21-(3-carbamimidamidopropyl)-18-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carbonyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-18,21-bis(3-carbamimidamidopropyl)-12-(1-hydroxyethyl)-9-(hydroxymethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide
CID 170196552
(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanamide;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[[(6S,9R,12R,15S,18R,21R,24S)-12-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-5,8-dioxooctanoic acid
CID 165032099
(6S,9S,18S,21S,24S,27S)-27-[[2-[2-[2-[2-[2-[2-[[(6S,9S,12S,15S,18S,21S,24S)-24-[[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-18,21-bis(3-carbamimidamidopropyl)-12-(1-hydroxyethyl)-9-(hydroxymethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-21-(4-aminobutyl)-24-(3-amino-3-oxopropyl)-18-(1H-imidazol-4-ylmethyl)-8,14,17,20,23,26-hexaoxo-1,7,13,16,19,22,25,30,31-nonazatricyclo[27.2.1.09,13]dotriaconta-29(32),30-diene-6-carboxamide
CID 170196847
(6S,9S,12S,15S,18S,21S,24S)-24-[[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[2-[2-[[(6S,15S,18S,21S,24S)-18-(4-aminobutyl)-21-(3-amino-3-oxopropyl)-6-carbamoyl-15-(1H-imidazol-4-ylmethyl)-8,11,14,17,20,23-hexaoxo-10-propyl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-2-oxoethoxy]ethyl]-18,21-bis(3-carbamimidamidopropyl)-12-(1-hydroxyethyl)-9-(hydroxymethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide
CID 170196657
(6S,9S,12R,15S,18S,21S,24S)-24-[[2-[2-[2-[2-[4-[(6S,9S,15S,18S,21S,24S)-24-[[2-[2-[2-[8-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]acetyl]amino]-9-(4-aminobutyl)-21-(5-amino-5-iminopentyl)-12-(2-amino-2-oxoethyl)-18-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-18,21-bis(3-carbamimidamidopropyl)-9-ethyl-12-(1-hydroxyethyl)-15-methyl-8,14,17,20,23-pentaoxo-1,7,10,16,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9S,12S,15S,21S,24R)-24-[6-[2-[2-[2-[4-[(6S,9S,15S,18S,21S,24S)-24-[[2-[2-[2-[8-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]acetyl]amino]-9-(4-aminobutyl)-21-(5-amino-5-iminopentyl)-12-(2-amino-2-oxoethyl)-18-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxohexyl]-18,21-bis(3-carbamimidamidopropyl)-9-ethyl-12-(1-hydroxyethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;methane
CID 158062148
(2R)-2-[2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoethyl]-5-[[(6S,9R,12R,15S,18R,21R,24S)-6-[[(4R)-5-[[(1S)-5-[(2-aminooxyacetyl)amino]-1-carboxypentyl]amino]-4-benzyl-2,5-dioxopentyl]carbamoyl]-12-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-5-oxopentanoic acid
CID 164954574
(2R)-2-[2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoethyl]-5-[[(6S,9R,12R,15S,18R,21R,24S)-6-[[(4R)-4-benzyl-5-[[(1S)-1-carboxy-5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentyl]amino]-2,5-dioxopentyl]carbamoyl]-12-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-5-oxopentanoic acid
CID 164972778
(2R)-2-[2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoethyl]-5-[[(6S,9R,12R,15S,18R,21R,24S)-6-[(3R)-3-[[(4R)-4-benzyl-5-[[(1S)-1-carboxy-5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentyl]amino]-2,5-dioxopentyl]carbamoyl]-7-[4-(4-iodophenyl)butanoylamino]heptanoyl]-12-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-5-oxopentanoic acid
CID 165084819
(6S,9S,18S,21S,24S,27S)-27-[[4-[(6S,9S,12S,15S,18S,21S,24R)-24-[3-[2-[2-[8-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-oxopropyl]-18,21-bis(3-carbamimidamidopropyl)-12-(1-hydroxyethyl)-9-(hydroxymethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-6-yl]-4-oxobutanoyl]amino]-21-(4-aminobutyl)-24-(3-amino-3-oxopropyl)-18-(1H-imidazol-4-ylmethyl)-8,14,17,20,23,26-hexaoxo-1,7,13,16,19,22,25,30,31-nonazatricyclo[27.2.1.09,13]dotriaconta-29(32),30-diene-6-carboxamide
CID 158751408
(6S,9R,12R,15R,18R,21S)-21-[[2-[2-[2-[2-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-15-benzyl-18-[3-(diaminomethylideneamino)propyl]-9-(hydroxymethyl)-12-[(1-methylindol-3-yl)methyl]-8,11,14,17,20-pentaoxo-1,7,10,16,19,24,25-heptazabicyclo[21.2.1]hexacosa-23(26),24-diene-6-carboxamide
CID 161418212
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(6S,9R,12R,15R,18R,21R,24S)-6-[2-[2-[2-[2-[[(2S)-1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-6-[4-(4-methylphenyl)butanoylamino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylcarbamoyl]-12-ethyl-18-(hydroxymethyl)-15,21-bis(1H-imidazol-5-ylmethyl)-9-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-5-oxopentanoic acid
CID 170237705

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)?
The IUPAC name of (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) (CID 165109891) is (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide).
What is the SMILES notation for (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)?
The canonical SMILES for (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) is O=C=O.O=C=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCNC(=O)CCC(CC(=O)c2ccc(CCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O.[H]/N=C(\N)NCCC[C@H]1CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cn(CCOCCOCCOCCNC(=O)CC[C@H](CC(=O)c3ccc(CCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)O)nn2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O.
What is the InChIKey of (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)?
The InChIKey is ZTPZSOJRICWRJA-WFZCUIOPSA-N. The full InChI is InChI=1S/C130H209N25O45S.C129H205N27O44S.2CO2/c1-90-120(168)144-100(26-28-114(165)166)107(159)83-95(10-9-32-139-128(132)133)121(169)146-103(82-93-18-24-99(157)25-19-93)124(172)149-115(91(2)156)125(173)145-101(118(131)167)11-6-8-36-155-87-98(153-154-155)85-104(123(171)141-90)147-122(170)102(12-5-7-31-135-113(164)88-200-81-80-199-51-46-181-40-34-137-110(161)27-22-96(127(175)176)84-106(158)94-20-15-92(16-21-94)17-23-97-86-140-119-117(142-97)126(174)152-129(134)151-119)143-112(163)30-38-179-43-48-184-53-57-188-61-65-192-69-73-196-77-79-198-75-71-194-67-63-190-59-55-186-50-45-182-41-35-138-111(162)29-37-178-42-47-183-52-56-187-60-64-191-68-72-195-76-78-197-74-70-193-66-62-189-58-54-185-49-44-180-39-33-136-109(160)14-4-3-13-108-116-105(89-201-108)148-130(177)150-116;1-89-119(168)142-100(23-25-113(165)166)107(160)81-94(8-7-28-137-127(131)132)120(169)144-102(80-92-15-21-99(158)22-16-92)123(172)147-114(90(2)157)124(173)143-101(117(130)167)9-5-6-32-155-86-98(151-153-155)84-104(121(170)139-89)145-122(171)103(83-97-87-156(154-152-97)33-39-183-45-51-186-48-42-181-37-30-135-110(162)24-19-95(126(175)176)82-106(159)93-17-12-91(13-18-93)14-20-96-85-138-118-116(140-96)125(174)150-128(133)149-118)141-112(164)27-35-179-41-47-185-53-57-190-61-65-194-69-73-198-77-79-200-75-71-196-67-63-192-59-55-188-50-44-182-38-31-136-111(163)26-34-178-40-46-184-52-56-189-60-64-193-68-72-197-76-78-199-74-70-195-66-62-191-58-54-187-49-43-180-36-29-134-109(161)11-4-3-10-108-115-105(88-201-108)146-129(177)148-115;2*2-1-3/h15-16,18-21,24-25,86-87,90-91,95-96,100-105,108,115-116,156-157H,3-14,17,22-23,26-85,88-89H2,1-2H3,(H2,131,167)(H,135,164)(H,136,160)(H,137,161)(H,138,162)(H,141,171)(H,143,163)(H,144,168)(H,145,173)(H,146,169)(H,147,170)(H,149,172)(H,165,166)(H,175,176)(H4,132,133,139)(H2,148,150,177)(H3,134,140,151,152,174);12-13,15-18,21-22,85-87,89-90,94-95,100-105,108,114-115,157-158H,3-11,14,19-20,23-84,88H2,1-2H3,(H2,130,167)(H,134,161)(H,135,162)(H,136,163)(H,139,170)(H,141,164)(H,142,168)(H,143,173)(H,144,169)(H,145,171)(H,147,172)(H,165,166)(H,175,176)(H4,131,132,137)(H2,146,148,177)(H3,133,138,149,150,174);;/t90-,91+,95+,96?,100-,101+,102+,103-,104+,105+,108+,115-,116+;89-,90+,94+,95-,100-,101+,102-,103+,104+,105+,108+,114-,115+;;/m11../s1.
What are the key properties of (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide)?
(2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) has a molecular weight of 5832.59 g/mol, XLogP of -8.41, 220 rotatable bonds, 45 hydrogen bond donors, and 110 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[2-[2-[2-[2-[[(5S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;(2R)-5-[2-[2-[2-[2-[4-[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[[(6S,9R,12R,15S,18R,21R,24S)-15-(3-carbamimidamidopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-21-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,19,22,27,28-octazabicyclo[24.2.1]nonacosa-26(29),27-dien-24-yl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-oxopentanoic acid;bis(carbon dioxide) is sourced from PubChem (CID 165109891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).