(2S)-2-azaniumyl-5-oxidanylidene-5-[(4-phenylmethoxyphenyl)amino]pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-oxidanylidene-5-[(4-phenylmethoxyphenyl)amino]pentanoate Openeye Name: (2S)-2-azaniumyl-5-(4-benzyloxyanilino)-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-oxo-5-(4-phenylmethoxyanilino)pentanoate IUPAC Name: (2S)-2-azaniumyl-5-oxo-5-(4-phenylmethoxyanilino)pentanoate Traditional Name: (2S)-2-ammonio-5-(4-benzoxyanilino)-5-keto-valerate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1