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-3-yl]amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)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-3-yl]amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-benzyloxyphenyl)methyl]-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-3-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-3-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-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-3-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[1-(4-benzoxybenzyl)-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-3-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C48H72N2O4 MolecularWeight: 741.09628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)C(CC5=CC=C(C=C5)OCC6=CC=CC=C6)NC(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)C(CC5=CC=C(C=C5)OCC6=CC=CC=C6)NC(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C48H72N2O4/c1-32(2)13-12-14-33(3)40-23-24-41-39-22-19-36-30-37(25-27-47(36,7)42(39)26-28-48(40,41)8)49-44(51)43(50-45(52)54-46(4,5)6)29-34-17-20-38(21-18-34)53-31-35-15-10-9-11-16-35/h9-11,15-18,20-21,32-33,36-37,39-43H,12-14,19,22-31H2,1-8H3,(H,49,51)(H,50,52)