[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2R)-2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2R)-2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) (2R)-6-(tert-butoxycarbonylamino)-2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoate CAS Name: (2R)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(4R)-1-oxo-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoate Traditional Name: (2R)-6-(tert-butoxycarbonylamino)-2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid succinimido ester Formula: C39H63N3O10 MolecularWeight: 733.93162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C

Isomeric SMILES

C[C@H](CCC(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C

InChI

InChI=1S/C39H63N3O10/c1-22(25-11-12-26-34-27(21-30(45)39(25,26)6)38(5)17-16-24(43)19-23(38)20-29(34)44)10-13-31(46)41-28(35(49)52-42-32(47)14-15-33(42)48)9-7-8-18-40-36(50)51-37(2,3)4/h22-30,34,43-45H,7-21H2,1-6H3,(H,40,50)(H,41,46)/t22-,23-,24-,25-,26+,27+,28-,29-,30+,34+,38+,39-/m1/s1