(2S)-2-(3-imidazol-1-ylpropylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(3-imidazol-1-ylpropylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2S)-2-[3-(1-imidazolyl)propylammonio]-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(3-imidazol-1-ylpropylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2S)-2-(3-imidazol-1-ylpropylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCN2C=CN=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2C=CN=C2

InChI

InChI=1S/C17H22N4O3/c1-13-4-2-5-14(10-13)20-16(22)11-15(17(23)24)19-6-3-8-21-9-7-18-12-21/h2,4-5,7,9-10,12,15,19H,3,6,8,11H2,1H3,(H,20,22)(H,23,24)/t15-/m0/s1