dimethyl 2-[cyclopentyl-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoyl]amino]butanedioate

Systemtic Name: dimethyl 2-[cyclopentyl-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoyl]amino]butanedioate Openeye Name: dimethyl 2-[[1-(acetylsulfanylmethyl)-2-phenyl-ethyl]carbamoyl-cyclopentyl-amino]butanedioate CAS Name: 2-[[[[1-(acetylthio)-3-phenylpropan-2-yl]amino]-oxomethyl]-cyclopentylamino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1-acetylsulfanyl-3-phenylpropan-2-yl)carbamoyl-cyclopentylamino]butanedioate Traditional Name: 2-[[1-[(acetylthio)methyl]-2-phenyl-ethyl]carbamoyl-cyclopentyl-amino]succinic acid dimethyl ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N(C2CCCC2)C(CC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N(C2CCCC2)C(CC(=O)OC)C(=O)OC

InChI

InChI=1S/C23H32N2O6S/c1-16(26)32-15-18(13-17-9-5-4-6-10-17)24-23(29)25(19-11-7-8-12-19)20(22(28)31-3)14-21(27)30-2/h4-6,9-10,18-20H,7-8,11-15H2,1-3H3,(H,24,29)