bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-[(2-aminophenyl)sulfanylmethyl]butanedioate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-[(2-aminophenyl)sulfanylmethyl]butanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-[(2-aminophenyl)sulfanylmethyl]butanedioate CAS Name: (2R)-2-[[(2-aminophenyl)thio]methyl]butanedioic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[(2-aminophenyl)sulfanylmethyl]butanedioate Traditional Name: (2R)-2-[[(2-aminophenyl)thio]methyl]succinic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C31H49NO4S MolecularWeight: 531.79006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(CSC2=CC=CC=C2N)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](CSC2=CC=CC=C2N)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C31H49NO4S/c1-19(2)24-13-11-21(5)15-27(24)35-30(33)17-23(18-37-29-10-8-7-9-26(29)32)31(34)36-28-16-22(6)12-14-25(28)20(3)4/h7-10,19-25,27-28H,11-18,32H2,1-6H3/t21-,22-,23+,24+,25+,27-,28-/m1/s1