5-(2-cyclohexylethylsulfonylamino)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(2-cyclohexylethylsulfonylamino)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-(2-cyclohexylethylsulfonylamino)-4-oxo-pentanoic acid CAS Name: 5-(2-cyclohexylethylsulfonylamino)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2-cyclohexylethylsulfonylamino)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-(2-cyclohexylethylsulfonylamino)-4-keto-valeric acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCS(=O)(=O)NCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CCS(=O)(=O)NCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,23,27)(H,25,26)