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

Systemtic Name: (4S)-5-[(4-methoxyphenyl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (4S)-4-(benzyloxycarbonylamino)-5-(4-methoxyanilino)-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-methoxyanilino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (4S)-5-(4-methoxyanilino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (4S)-4-(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)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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