(3R)-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate

Systemtic Name: (3R)-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Openeye Name: (3R)-3-(benzylammonio)-4-oxo-4-[(4-phenylthiazol-2-yl)amino]butanoate CAS Name: (3R)-4-oxo-3-[(phenylmethyl)ammonio]-4-[(4-phenyl-2-thiazolyl)amino]butanoate IUPAC Name: (3R)-3-(benzylazaniumyl)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Traditional Name: (3R)-3-(benzylammonio)-4-keto-4-[(4-phenylthiazol-2-yl)amino]butyrate Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c24-18(25)11-16(21-12-14-7-3-1-4-8-14)19(26)23-20-22-17(13-27-20)15-9-5-2-6-10-15/h1-10,13,16,21H,11-12H2,(H,24,25)(H,22,23,26)/t16-/m1/s1