tert-butyl (2S)-2-(2-dimethylaminoethylcarbamoyl)-4-[4-[(3R,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-dimethylaminoethylcarbamoyl)-4-[4-[(3R,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-dimethylaminoethylcarbamoyl)-4-[4-[(3R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2-dimethylaminoethylamino)-oxomethyl]-4-[[4-[(3R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-dimethylaminoethylcarbamoyl)-4-[4-[(3R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(2-dimethylaminoethylcarbamoyl)-4-[4-[(3R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C38H66N4O5 MolecularWeight: 658.95444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)NCCN(C)C)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C

Isomeric SMILES

CC(CCC(=O)NC1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)NCCN(C)C)[C@H]2CCC3[C@@]2(CCC4C3CCC5[C@@]4(CC[C@H](C5)O)C)C

InChI

InChI=1S/C38H66N4O5/c1-24(29-12-13-30-28-11-10-25-21-27(43)15-17-37(25,5)31(28)16-18-38(29,30)6)9-14-33(44)40-26-22-32(34(45)39-19-20-41(7)8)42(23-26)35(46)47-36(2,3)4/h24-32,43H,9-23H2,1-8H3,(H,39,45)(H,40,44)/t24?,25?,26?,27-,28?,29-,30?,31?,32+,37+,38-/m1/s1