(2S)-5-[(4-methoxyphenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[(4-methoxyphenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-methoxyanilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-(4-methoxyanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(4-methoxyanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(p-anisidino)valeric acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-27-16-9-7-15(8-10-16)21-18(23)12-11-17(19(24)25)22-20(26)28-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t17-/m0/s1