tert-butyl N-[4-[[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]carbamoyl]-3-oxidanyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[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]carbamoyl]-3-oxidanyl-phenyl]carbamate Openeye Name: tert-butyl N-[4-[[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]carbamoyl]-3-hydroxy-phenyl]carbamate CAS Name: N-[4-[[[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]-oxomethyl]-3-hydroxyphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[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]carbamoyl]-3-hydroxyphenyl]carbamate Traditional Name: N-[4-[[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]carbamoyl]-3-hydroxy-phenyl]carbamic acid tert-butyl ester Formula: C39H62N2O4 MolecularWeight: 622.92058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H62N2O4/c1-24(2)10-9-11-25(3)31-16-17-32-29-14-12-26-22-28(18-20-38(26,7)33(29)19-21-39(31,32)8)40-35(43)30-15-13-27(23-34(30)42)41-36(44)45-37(4,5)6/h13,15,23-26,28-29,31-33,42H,9-12,14,16-22H2,1-8H3,(H,40,43)(H,41,44)