[4-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(phenylsulfanylmethyl)cyclohexyl]carbamic acid

Systemtic Name: [4-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(phenylsulfanylmethyl)cyclohexyl]carbamic acid Openeye Name: [4-[3-(benzyloxycarbonylamino)-2-oxo-pyrrolidin-1-yl]-3-(phenylsulfanylmethyl)cyclohexyl]carbamic acid CAS Name: [4-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]-3-[(phenylthio)methyl]cyclohexyl]carbamic acid IUPAC Name: [4-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(phenylsulfanylmethyl)cyclohexyl]carbamic acid Traditional Name: [4-[3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]-3-[(phenylthio)methyl]cyclohexyl]carbamic acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1NC(=O)O)CSC2=CC=CC=C2)N3CCC(C3=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(C(CC1NC(=O)O)CSC2=CC=CC=C2)N3CCC(C3=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5S/c30-24-22(28-26(33)34-16-18-7-3-1-4-8-18)13-14-29(24)23-12-11-20(27-25(31)32)15-19(23)17-35-21-9-5-2-6-10-21/h1-10,19-20,22-23,27H,11-17H2,(H,28,33)(H,31,32)