[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3S)-5-[2-(1H-indol-3-yl)ethylamino]-3-(2-methylsulfonyloxyethyl)-5-oxidanylidene-pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3S)-5-[2-(1H-indol-3-yl)ethylamino]-3-(2-methylsulfonyloxyethyl)-5-oxidanylidene-pentanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (3S)-5-[2-(1H-indol-3-yl)ethylamino]-3-(2-methylsulfonyloxyethyl)-5-oxo-pentanoate CAS Name: (3S)-5-[2-(1H-indol-3-yl)ethylamino]-3-(2-methylsulfonyloxyethyl)-5-oxopentanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3S)-5-[2-(1H-indol-3-yl)ethylamino]-3-(2-methylsulfonyloxyethyl)-5-oxopentanoate Traditional Name: (3S)-5-[2-(1H-indol-3-yl)ethylamino]-5-keto-3-(2-methylsulfonyloxyethyl)valeric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C34H46N2O6S MolecularWeight: 610.80384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(CCOS(=O)(=O)C)CC(=O)NCCC2=CNC3=CC=CC=C32)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](CCOS(=O)(=O)C)CC(=O)NCCC2=CNC3=CC=CC=C32)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C34H46N2O6S/c1-24-14-15-29(34(2,3)27-10-6-5-7-11-27)31(20-24)42-33(38)22-25(17-19-41-43(4,39)40)21-32(37)35-18-16-26-23-36-30-13-9-8-12-28(26)30/h5-13,23-25,29,31,36H,14-22H2,1-4H3,(H,35,37)/t24-,25+,29-,31-/m1/s1