(phenylmethyl) N-[1-[(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(4-hydroxybenzyl)-2-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)amino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C36H46N2O5 MolecularWeight: 586.76084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)OCC5=CC=CC=C5)CC=C6C3(CCC(C6)O)C

Isomeric SMILES

CC12CCC3C(C1CCC2NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)OCC5=CC=CC=C5)CC=C6C3(CCC(C6)O)C

InChI

InChI=1S/C36H46N2O5/c1-35-18-16-27(40)21-25(35)10-13-28-29-14-15-32(36(29,2)19-17-30(28)35)38-33(41)31(20-23-8-11-26(39)12-9-23)37-34(42)43-22-24-6-4-3-5-7-24/h3-12,27-32,39-40H,13-22H2,1-2H3,(H,37,42)(H,38,41)