tert-butyl N-[1-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzyloxymethyl)-2-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[1-(benzoxymethyl)-2-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C42H68N2O4 MolecularWeight: 665.00032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CCC4)NC(=O)C(COCC5=CC=CC=C5)NC(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CCC4)NC(=O)C(COCC5=CC=CC=C5)NC(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C42H68N2O4/c1-28(2)14-12-15-29(3)33-22-23-34-32-21-20-31-18-13-19-37(42(31,8)35(32)24-25-41(33,34)7)44-38(45)36(43-39(46)48-40(4,5)6)27-47-26-30-16-10-9-11-17-30/h9-11,16-17,28-29,31-37H,12-15,18-27H2,1-8H3,(H,43,46)(H,44,45)