(2S)-2-[(phenylmethyl)azaniumyl]-3-[1-(phenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: (2S)-2-[(phenylmethyl)azaniumyl]-3-[1-(phenylmethyl)imidazol-4-yl]propanoate Openeye Name: (2S)-2-(benzylammonio)-3-(1-benzylimidazol-4-yl)propanoate CAS Name: (2S)-2-[(phenylmethyl)ammonio]-3-[1-(phenylmethyl)-4-imidazolyl]propanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-3-(1-benzylimidazol-4-yl)propanoate Traditional Name: (2S)-2-(benzylammonio)-3-(1-benzylimidazol-4-yl)propionate Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21N3O2/c24-20(25)19(21-12-16-7-3-1-4-8-16)11-18-14-23(15-22-18)13-17-9-5-2-6-10-17/h1-10,14-15,19,21H,11-13H2,(H,24,25)/t19-/m0/s1