[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2-azanylethanoylamino)ethanoate

Systemtic Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2-azanylethanoylamino)ethanoate Openeye Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[(2-aminoacetyl)amino]acetate CAS Name: 2-[(2-amino-1-oxoethyl)amino]acetic acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[(2-aminoacetyl)amino]acetate Traditional Name: 2-(glycylamino)acetic acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C27H40N2O6 MolecularWeight: 488.6163

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CNC(=O)CN

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CNC(=O)CN

InChI

InChI=1S/C27H40N2O6/c1-25-8-5-18(35-24(32)14-29-22(30)13-28)12-17(25)3-4-21-20(25)6-9-26(2)19(7-10-27(21,26)33)16-11-23(31)34-15-16/h11,17-21,33H,3-10,12-15,28H2,1-2H3,(H,29,30)/t17-,18+,19-,20+,21-,25+,26-,27+/m1/s1