(2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(2-hydroxy-5-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-keto-butyrate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4/c1-12-7-8-16(21)14(9-12)20-17(22)10-15(18(23)24)19-11-13-5-3-2-4-6-13/h2-9,15,19,21H,10-11H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1