9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide

C154H271N17O81 — CID 159352605

IUPAC9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide
SMILESCCCC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCCC(=O)CN(CC(=O)CCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)CC(=O)CCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)C(O)[C@@H]1O.CCNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C53H92N4O27.C51H90N6O27.C50H89N7O27/c1-3-54-35(63)15-7-5-4-6-12-29(60)22-57(23-30(61)13-8-10-16-36(64)55-18-20-77-50-45(73)42(70)38(66)28(2)80-50)24-31(62)14-9-11-17-37(65)56-19-21-78-52-48(76)49(84-53-47(75)44(72)40(68)33(26-59)82-53)41(69)34(83-52)27-79-51-46(74)43(71)39(67)32(25-58)81-51;1-3-9-27(60)10-5-4-6-13-52-33(63)20-57(21-34(64)53-14-7-11-31(61)55-16-18-77-48-43(73)40(70)36(66)26(2)80-48)22-35(65)54-15-8-12-32(62)56-17-19-78-50-46(76)47(84-51-45(75)42(72)38(68)29(24-59)82-51)39(69)30(83-50)25-79-49-44(74)41(71)37(67)28(23-58)81-49;1-3-51-29(60)9-5-4-6-12-52-32(63)19-57(20-33(64)53-13-7-10-30(61)55-15-17-77-47-42(73)39(70)35(66)25(2)80-47)21-34(65)54-14-8-11-31(62)56-16-18-78-49-45(76)46(84-50-44(75)41(72)37(68)27(23-59)82-50)38(69)28(83-49)24-79-48-43(74)40(71)36(67)26(22-58)81-48/h28,32-34,38-53,58-59,66-76H,3-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,65);26,28-30,36-51,58-59,66-76H,3-25H2,1-2H3,(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62);25-28,35-50,58-59,66-76H,3-24H2,1-2H3,(H,51,60)(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62)/t28-,32+,33+,34+,38+,39+,40+,41+,42?,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,53+;26-,28+,29+,30+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+;25-,26+,27+,28+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+/m000/s1
InChIKeyLHNCLGMSLSQWOF-XVUUXVRQSA-N
MW3656.90 g/mol
LogP-26.76
Rot. Bonds112

About 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide

9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide (PubChem CID 159352605) has the molecular formula C154H271N17O81 and a molecular weight of 3656.90 g/mol. Its IUPAC name is 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide.

Molecular Properties

Compound Name9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide
PubChem CID159352605
Molecular FormulaC154H271N17O81
Molecular Weight3656.90 g/mol
Exact Mass3654.76
IUPAC Name9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide
SMILESCCCC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCCC(=O)CN(CC(=O)CCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)CC(=O)CCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)C(O)[C@@H]1O.CCNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C53H92N4O27.C51H90N6O27.C50H89N7O27/c1-3-54-35(63)15-7-5-4-6-12-29(60)22-57(23-30(61)13-8-10-16-36(64)55-18-20-77-50-45(73)42(70)38(66)28(2)80-50)24-31(62)14-9-11-17-37(65)56-19-21-78-52-48(76)49(84-53-47(75)44(72)40(68)33(26-59)82-53)41(69)34(83-52)27-79-51-46(74)43(71)39(67)32(25-58)81-51;1-3-9-27(60)10-5-4-6-13-52-33(63)20-57(21-34(64)53-14-7-11-31(61)55-16-18-77-48-43(73)40(70)36(66)26(2)80-48)22-35(65)54-15-8-12-32(62)56-17-19-78-50-46(76)47(84-51-45(75)42(72)38(68)29(24-59)82-51)39(69)30(83-50)25-79-49-44(74)41(71)37(67)28(23-58)81-49;1-3-51-29(60)9-5-4-6-12-52-32(63)19-57(20-33(64)53-13-7-10-30(61)55-15-17-77-47-42(73)39(70)35(66)25(2)80-47)21-34(65)54-14-8-11-31(62)56-16-18-78-49-45(76)46(84-50-44(75)41(72)37(68)27(23-59)82-50)38(69)28(83-49)24-79-48-43(74)40(71)36(67)26(22-58)81-48/h28,32-34,38-53,58-59,66-76H,3-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,65);26,28-30,36-51,58-59,66-76H,3-25H2,1-2H3,(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62);25-28,35-50,58-59,66-76H,3-24H2,1-2H3,(H,51,60)(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62)/t28-,32+,33+,34+,38+,39+,40+,41+,42?,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,53+;26-,28+,29+,30+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+;25-,26+,27+,28+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+/m000/s1
InChIKeyLHNCLGMSLSQWOF-XVUUXVRQSA-N
XLogP-26.76
TPSA1495.89 Ų
H-Bond Donors53
H-Bond Acceptors84
Rotatable Bonds112
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003656.90
LogP ≤ 5-26.76
H-Bond Donors ≤ 553
H-Bond Acceptors ≤ 1084

Analyze 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide with MolForge

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Related Compounds

7-[[2-[[2-[[6-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-6-oxohexyl]amino]-2-oxoethyl]-[2-oxo-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]ethyl]amino]acetyl]amino]-N-ethylheptanamide
CID 122519984
9-[bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-N-ethyl-8-oxononanamide;1-[2-[5-[bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-4-oxopentoxy]ethoxy]hexan-3-one;bis(6-[[2-[[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]-N-ethylhexanamide)
CID 159903115
3-[2-[2-[[2-[bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-N-ethylpropanamide;9-[bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-N-ethyl-8-oxononanamide;1-[2-[5-[bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-4-oxopentoxy]ethoxy]hexan-3-one;6-[[2-[[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]-N-ethylhexanamide
CID 159673087
bis(butan-2-one);bis(6-[[2-[[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]-N-ethylhexanamide);9-[[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-N-ethyl-8-oxononanamide
CID 158524715
6-[[2-[[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]-N-ethylhexanamide;N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-2-[[2,9-dioxo-9-[2-(2-oxobutyl)hydrazinyl]nonyl]-[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]acetamide
CID 158061501
2-[[2-[[9-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-oxononyl]amino]-2-oxoethyl]-[2-oxo-2-[5-[[2-[[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]-[2-oxo-2-[2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]pentylamino]ethyl]amino]-N-(6-oxooctyl)acetamide
CID 153463970
N-ethyl-6-[[2-[[2-[2-[(2S,3S,4S,5R,6S)-3-hydroxy-5-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-[2-oxo-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]ethyl]amino]acetyl]amino]hexanamide
CID 122519982
6-[[2-[[2-[[6-[2-[(2S,3S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-6-oxohexyl]amino]-2-oxoethyl]-[2-oxo-2-(7-oxooctylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]hexanamide
CID 122633670
N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethyl]-6-oxononanamide;N'-[(2S)-1-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-1-oxo-6-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexanoyl]amino]hexan-2-yl]-N-ethyloctanediamide;(2S)-N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-N'-ethyl-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexanoyl]amino]octanediamide;N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-6-oxononanamide
CID 159762508
bis(N-ethyl-8-oxo-9-[[2-oxo-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]nonanamide);tris(N-ethyl-6-[[2-[[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]hexanamide);methane
CID 158001993
2-[[2-[[9-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-oxononyl]amino]-2-oxoethyl]-[2-oxo-2-[5-[[2-[[2-oxo-2-[2-[(1R,2S,3R,4R,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyethylamino]ethyl]-[2-oxo-2-[2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]pentylamino]ethyl]amino]-N-(6-oxooctyl)acetamide
CID 153463935
4-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2-oxoethyl]-2-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hydrazinyl]-N-ethyl-4-oxobutanamide
CID 122519976

Frequently Asked Questions

What is the IUPAC name of 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide?
The IUPAC name of 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide (CID 159352605) is 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide.
What is the SMILES notation for 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide?
The canonical SMILES for 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide is CCCC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCCC(=O)CN(CC(=O)CCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)CC(=O)CCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)C(O)[C@@H]1O.CCNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide?
The InChIKey is LHNCLGMSLSQWOF-XVUUXVRQSA-N. The full InChI is InChI=1S/C53H92N4O27.C51H90N6O27.C50H89N7O27/c1-3-54-35(63)15-7-5-4-6-12-29(60)22-57(23-30(61)13-8-10-16-36(64)55-18-20-77-50-45(73)42(70)38(66)28(2)80-50)24-31(62)14-9-11-17-37(65)56-19-21-78-52-48(76)49(84-53-47(75)44(72)40(68)33(26-59)82-53)41(69)34(83-52)27-79-51-46(74)43(71)39(67)32(25-58)81-51;1-3-9-27(60)10-5-4-6-13-52-33(63)20-57(21-34(64)53-14-7-11-31(61)55-16-18-77-48-43(73)40(70)36(66)26(2)80-48)22-35(65)54-15-8-12-32(62)56-17-19-78-50-46(76)47(84-51-45(75)42(72)38(68)29(24-59)82-51)39(69)30(83-50)25-79-49-44(74)41(71)37(67)28(23-58)81-49;1-3-51-29(60)9-5-4-6-12-52-32(63)19-57(20-33(64)53-13-7-10-30(61)55-15-17-77-47-42(73)39(70)35(66)25(2)80-47)21-34(65)54-14-8-11-31(62)56-16-18-78-49-45(76)46(84-50-44(75)41(72)37(68)27(23-59)82-50)38(69)28(83-49)24-79-48-43(74)40(71)36(67)26(22-58)81-48/h28,32-34,38-53,58-59,66-76H,3-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,65);26,28-30,36-51,58-59,66-76H,3-25H2,1-2H3,(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62);25-28,35-50,58-59,66-76H,3-24H2,1-2H3,(H,51,60)(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62)/t28-,32+,33+,34+,38+,39+,40+,41+,42?,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,53+;26-,28+,29+,30+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+;25-,26+,27+,28+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+/m000/s1.
What are the key properties of 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide?
9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide has a molecular weight of 3656.90 g/mol, XLogP of -26.76, 112 rotatable bonds, 53 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[7-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-2,7-dioxoheptyl]-[2,7-dioxo-7-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]heptyl]amino]-N-ethyl-8-oxononanamide;4-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxononylamino)ethyl]amino]acetyl]amino]-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]butanamide;6-[[2-[[2-[[4-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2-oxoethyl]-[2-oxo-2-[[4-oxo-4-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]butyl]amino]ethyl]amino]acetyl]amino]-N-ethylhexanamide is sourced from PubChem (CID 159352605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).