[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate

Systemtic Name: [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate Openeye Name: [(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(tert-butoxycarbonylamino)acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate Traditional Name: 2-(tert-butoxycarbonylamino)acetic acid [(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H57NO4 MolecularWeight: 543.82068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CNC(=O)OC(C)(C)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OC(=O)CNC(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C34H57NO4/c1-22(2)10-9-11-23(3)27-14-15-28-26-13-12-24-20-25(38-30(36)21-35-31(37)39-32(4,5)6)16-18-33(24,7)29(26)17-19-34(27,28)8/h12,22-23,25-29H,9-11,13-21H2,1-8H3,(H,35,37)/t23-,25?,26?,27-,28?,29?,33+,34-/m1/s1