N-[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]-2-(3-propan-2-ylsulfanylpropylamino)ethanamide hydrochloride

Systemtic Name: N-[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]-2-(3-propan-2-ylsulfanylpropylamino)ethanamide hydrochloride Openeye Name: N-[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]-2-(3-isopropylsulfanylpropylamino)acetamide hydrochloride CAS Name: N-[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]-2-[3-(propan-2-ylthio)propylamino]acetamide hydrochloride IUPAC Name: N-[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]-2-(3-propan-2-ylsulfanylpropylamino)acetamide hydrochloride Traditional Name: N-[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]-2-[3-(isopropylthio)propylamino]acetamide hydrochloride Formula: C35H65ClN2OS MolecularWeight: 597.4214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)CNCCCSC(C)C)C)C.Cl

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)CNCCCSC(C)C)C)C.Cl

InChI

InChI=1S/C35H64N2OS.ClH/c1-24(2)10-8-11-26(5)30-14-15-31-29-13-12-27-22-28(37-33(38)23-36-20-9-21-39-25(3)4)16-18-34(27,6)32(29)17-19-35(30,31)7;/h24-32,36H,8-23H2,1-7H3,(H,37,38);1H