2-azanyl-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis(2-azanylethanoylamino)-10,13-dimethyl-17-[(2R)-5-oxidanylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanamide

Systemtic Name: 2-azanyl-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis(2-azanylethanoylamino)-10,13-dimethyl-17-[(2R)-5-oxidanylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanamide Openeye Name: 2-amino-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[(2-aminoacetyl)amino]-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide CAS Name: 2-amino-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[(2-amino-1-oxoethyl)amino]-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide IUPAC Name: 2-amino-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis[(2-aminoacetyl)amino]-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide Traditional Name: 2-amino-N-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-bis(glycylamino)-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide Formula: C30H54N6O4 MolecularWeight: 562.78756

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)NC(=O)CN)C)NC(=O)CN)NC(=O)CN)C

Isomeric SMILES

C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)NC(=O)CN)C)NC(=O)CN)NC(=O)CN)C

InChI

InChI=1S/C30H54N6O4/c1-17(5-4-10-37)20-6-7-21-28-22(13-24(30(20,21)3)36-27(40)16-33)29(2)9-8-19(34-25(38)14-31)11-18(29)12-23(28)35-26(39)15-32/h17-24,28,37H,4-16,31-33H2,1-3H3,(H,34,38)(H,35,39)(H,36,40)/t17-,18+,19-,20-,21+,22+,23-,24+,28+,29+,30-/m1/s1