7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide

C173H240F10N36O51S7 — CID 165104426

IUPAC7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide
SMILESCC(=O)C(CSC1CC(=O)N(CCNC(C)C)C1=O)CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1.CC(C)C(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)CNC(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)NCCN1C(=O)CC(SC[C@@H](NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)NCc2cc(C(=O)N[C@H](C)C(=O)N3CC(F)(F)C[C@H]3C#N)ccn2)C(=O)O)C1=O.CC(C)SCC(CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O
InChIInChI=1S/C57H89F2N11O22S.C33H43F2N7O7S.C29H39F2N7O8S2.C28H36F2N6O8S2.C26H33F2N5O6S/c1-35(2)61-11-13-69-49(78)27-44(55(69)84)93-33-41(56(85)86)68-53(82)40(4-5-46(75)65-31-42(72)50(79)51(80)43(73)32-71)67-48(77)9-14-87-16-18-89-20-22-91-24-25-92-23-21-90-19-17-88-15-12-63-45(74)6-7-47(76)64-30-38-26-37(8-10-62-38)52(81)66-36(3)54(83)70-34-57(58,59)28-39(70)29-60;1-19(2)37-9-10-41-29(46)13-27(32(41)49)50-17-23(21(4)43)12-26(44)5-6-28(45)39-16-24-11-22(7-8-38-24)30(47)40-20(3)31(48)42-18-33(34,35)14-25(42)15-36;1-17(2)13-35-28(45)46-8-9-47-48-15-22(27(43)44)37-24(40)5-4-23(39)34-14-20-10-19(6-7-33-20)25(41)36-18(3)26(42)38-16-29(30,31)11-21(38)12-32;1-16(2)27(43)44-8-9-45-46-14-21(26(41)42)35-23(38)5-4-22(37)33-13-19-10-18(6-7-32-19)24(39)34-17(3)25(40)36-15-28(29,30)11-20(36)12-31;1-15(2)40-13-18(25(38)39)9-21(34)4-5-22(35)31-12-19-8-17(6-7-30-19)23(36)32-16(3)24(37)33-14-26(27,28)10-20(33)11-29/h8,10,26,35-36,39-44,50-51,61,71-73,79-80H,4-7,9,11-25,27-28,30-34H2,1-3H3,(H,63,74)(H,64,76)(H,65,75)(H,66,81)(H,67,77)(H,68,82)(H,85,86);7-8,11,19-20,23,25,27,37H,5-6,9-10,12-14,16-18H2,1-4H3,(H,39,45)(H,40,47);6-7,10,17-18,21-22H,4-5,8-9,11,13-16H2,1-3H3,(H,34,39)(H,35,45)(H,36,41)(H,37,40)(H,43,44);6-7,10,16-17,20-21H,4-5,8-9,11,13-15H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42);6-8,15-16,18,20H,4-5,9-10,12-14H2,1-3H3,(H,31,35)(H,32,36)(H,38,39)/t36-,39+,40-,41-,42+,43-,44?,50-,51-;20-,23?,25+,27?;18-,21+,22?;17-,20+,21?;16-,18?,20+/m11111/s1
InChIKeyYWUHSMGDIBAPPA-JGZSFFQWSA-N
MW4054.47 g/mol
LogP1.94
Rot. Bonds116

About 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide

7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide (PubChem CID 165104426) has the molecular formula C173H240F10N36O51S7 and a molecular weight of 4054.47 g/mol. Its IUPAC name is 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide
PubChem CID165104426
Molecular FormulaC173H240F10N36O51S7
Molecular Weight4054.47 g/mol
Exact Mass4051.52
IUPAC Name7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide
SMILESCC(=O)C(CSC1CC(=O)N(CCNC(C)C)C1=O)CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1.CC(C)C(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)CNC(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)NCCN1C(=O)CC(SC[C@@H](NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)NCc2cc(C(=O)N[C@H](C)C(=O)N3CC(F)(F)C[C@H]3C#N)ccn2)C(=O)O)C1=O.CC(C)SCC(CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O
InChIInChI=1S/C57H89F2N11O22S.C33H43F2N7O7S.C29H39F2N7O8S2.C28H36F2N6O8S2.C26H33F2N5O6S/c1-35(2)61-11-13-69-49(78)27-44(55(69)84)93-33-41(56(85)86)68-53(82)40(4-5-46(75)65-31-42(72)50(79)51(80)43(73)32-71)67-48(77)9-14-87-16-18-89-20-22-91-24-25-92-23-21-90-19-17-88-15-12-63-45(74)6-7-47(76)64-30-38-26-37(8-10-62-38)52(81)66-36(3)54(83)70-34-57(58,59)28-39(70)29-60;1-19(2)37-9-10-41-29(46)13-27(32(41)49)50-17-23(21(4)43)12-26(44)5-6-28(45)39-16-24-11-22(7-8-38-24)30(47)40-20(3)31(48)42-18-33(34,35)14-25(42)15-36;1-17(2)13-35-28(45)46-8-9-47-48-15-22(27(43)44)37-24(40)5-4-23(39)34-14-20-10-19(6-7-33-20)25(41)36-18(3)26(42)38-16-29(30,31)11-21(38)12-32;1-16(2)27(43)44-8-9-45-46-14-21(26(41)42)35-23(38)5-4-22(37)33-13-19-10-18(6-7-32-19)24(39)34-17(3)25(40)36-15-28(29,30)11-20(36)12-31;1-15(2)40-13-18(25(38)39)9-21(34)4-5-22(35)31-12-19-8-17(6-7-30-19)23(36)32-16(3)24(37)33-14-26(27,28)10-20(33)11-29/h8,10,26,35-36,39-44,50-51,61,71-73,79-80H,4-7,9,11-25,27-28,30-34H2,1-3H3,(H,63,74)(H,64,76)(H,65,75)(H,66,81)(H,67,77)(H,68,82)(H,85,86);7-8,11,19-20,23,25,27,37H,5-6,9-10,12-14,16-18H2,1-4H3,(H,39,45)(H,40,47);6-7,10,17-18,21-22H,4-5,8-9,11,13-16H2,1-3H3,(H,34,39)(H,35,45)(H,36,41)(H,37,40)(H,43,44);6-7,10,16-17,20-21H,4-5,8-9,11,13-15H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42);6-8,15-16,18,20H,4-5,9-10,12-14H2,1-3H3,(H,31,35)(H,32,36)(H,38,39)/t36-,39+,40-,41-,42+,43-,44?,50-,51-;20-,23?,25+,27?;18-,21+,22?;17-,20+,21?;16-,18?,20+/m11111/s1
InChIKeyYWUHSMGDIBAPPA-JGZSFFQWSA-N
XLogP1.94
TPSA1270.94 Ų
H-Bond Donors28
H-Bond Acceptors66
Rotatable Bonds116
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004054.47
LogP ≤ 51.94
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1066

Analyze 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-[(propan-2-ylamino)carbamoyloxy]ethyldisulfanyl]propanoic acid
CID 155022112
2-[[4-[[4-[[(2S)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
CID 168759304
4-[[4-[[(2S)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoic acid
CID 162714824
4-[[4-[[1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoic acid
CID 167136531
[5-[6-(5-amino-6-methoxy-3-pyridinyl)quinolin-4-yl]-2-pyridinyl]methyl 4-[[3-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-[[4-[[4-[[1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-oxopropyl]disulfanyl]butanoate
CID 175624042
N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[(4-methyl-3-oxopentanoyl)amino]methyl]pyridine-4-carboxamide
CID 154607562
copper 4-[1-carboxy-4-[2-[2-[3-[[4-[[(2S)-1-[(2R)-4,4-difluoro-2-isocyanopyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutyl]-7-(1-hydroxyethenyl)-1,4,7-triazonane-1-carboxylic acid
CID 163787717
(2S)-2-[3-[3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-5-[[(1S)-1-carboxy-4-oxobutyl]amino]-5-oxopentanoic acid
CID 122551569
[5-[6-(5-amino-6-methoxy-3-pyridinyl)quinolin-4-yl]-2-pyridinyl]methyl N-[2-[[2-[[4-[[4-[[1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-[4-(4-methylphenyl)butanoylamino]ethylamino]-3-oxopropyl]disulfanyl]ethyl]carbamate
CID 175623937
2-[[2-[[2-amino-3-[[13-[[4-[[(2S)-1-[(2R)-4,4-difluoro-2-isocyanopyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-10,13-dioxotridecanoyl]amino]propanoyl]amino]-3-formyloxypropanoyl]amino]-3-sulfanylpropanoic acid
CID 163898657
(2R)-2-[[2-[2-[3-[[2-[2-[(3S,5S)-5-[(2S)-2-cyano-4,4-difluoropyrrolidine-1-carbonyl]-2-oxopyrrolidin-3-yl]acetyl]-1,3-dihydroisoindol-4-yl]methylamino]-3-oxopropoxy]ethoxy]acetyl]amino]-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 167600250
4-[[6-amino-1-[[3-carboxy-1-[[1-carboxy-2-[1-[6-[[1-[2-[[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[2,6-bis[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]hexanoylamino]-4-oxobutanoic acid
CID 171469940

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide?
The IUPAC name of 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide (CID 165104426) is 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide?
The canonical SMILES for 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide is CC(=O)C(CSC1CC(=O)N(CCNC(C)C)C1=O)CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1.CC(C)C(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)CNC(=O)OCCSSCC(NC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.CC(C)NCCN1C(=O)CC(SC[C@@H](NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)NCc2cc(C(=O)N[C@H](C)C(=O)N3CC(F)(F)C[C@H]3C#N)ccn2)C(=O)O)C1=O.CC(C)SCC(CC(=O)CCC(=O)NCc1cc(C(=O)N[C@H](C)C(=O)N2CC(F)(F)C[C@H]2C#N)ccn1)C(=O)O.
What is the InChIKey of 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide?
The InChIKey is YWUHSMGDIBAPPA-JGZSFFQWSA-N. The full InChI is InChI=1S/C57H89F2N11O22S.C33H43F2N7O7S.C29H39F2N7O8S2.C28H36F2N6O8S2.C26H33F2N5O6S/c1-35(2)61-11-13-69-49(78)27-44(55(69)84)93-33-41(56(85)86)68-53(82)40(4-5-46(75)65-31-42(72)50(79)51(80)43(73)32-71)67-48(77)9-14-87-16-18-89-20-22-91-24-25-92-23-21-90-19-17-88-15-12-63-45(74)6-7-47(76)64-30-38-26-37(8-10-62-38)52(81)66-36(3)54(83)70-34-57(58,59)28-39(70)29-60;1-19(2)37-9-10-41-29(46)13-27(32(41)49)50-17-23(21(4)43)12-26(44)5-6-28(45)39-16-24-11-22(7-8-38-24)30(47)40-20(3)31(48)42-18-33(34,35)14-25(42)15-36;1-17(2)13-35-28(45)46-8-9-47-48-15-22(27(43)44)37-24(40)5-4-23(39)34-14-20-10-19(6-7-33-20)25(41)36-18(3)26(42)38-16-29(30,31)11-21(38)12-32;1-16(2)27(43)44-8-9-45-46-14-21(26(41)42)35-23(38)5-4-22(37)33-13-19-10-18(6-7-32-19)24(39)34-17(3)25(40)36-15-28(29,30)11-20(36)12-31;1-15(2)40-13-18(25(38)39)9-21(34)4-5-22(35)31-12-19-8-17(6-7-30-19)23(36)32-16(3)24(37)33-14-26(27,28)10-20(33)11-29/h8,10,26,35-36,39-44,50-51,61,71-73,79-80H,4-7,9,11-25,27-28,30-34H2,1-3H3,(H,63,74)(H,64,76)(H,65,75)(H,66,81)(H,67,77)(H,68,82)(H,85,86);7-8,11,19-20,23,25,27,37H,5-6,9-10,12-14,16-18H2,1-4H3,(H,39,45)(H,40,47);6-7,10,17-18,21-22H,4-5,8-9,11,13-16H2,1-3H3,(H,34,39)(H,35,45)(H,36,41)(H,37,40)(H,43,44);6-7,10,16-17,20-21H,4-5,8-9,11,13-15H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42);6-8,15-16,18,20H,4-5,9-10,12-14H2,1-3H3,(H,31,35)(H,32,36)(H,38,39)/t36-,39+,40-,41-,42+,43-,44?,50-,51-;20-,23?,25+,27?;18-,21+,22?;17-,20+,21?;16-,18?,20+/m11111/s1.
What are the key properties of 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide?
7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide has a molecular weight of 4054.47 g/mol, XLogP of 1.94, 116 rotatable bonds, 28 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4,7-dioxo-2-(propan-2-ylsulfanylmethyl)heptanoic acid;(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylpropanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropanoyloxy)ethyldisulfanyl]propanoic acid;2-[[4-[[4-[[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methylamino]-4-oxobutanoyl]amino]-3-[2-(2-methylpropylcarbamoyloxy)ethyldisulfanyl]propanoic acid;N-[(2R)-1-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[[6-[[2,5-dioxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]sulfanylmethyl]-4,7-dioxooctanoyl]amino]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 165104426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).