(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CC(C(=O)[O-])[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO

InChI

InChI=1S/C14H17N3O4/c15-9-10-4-1-2-5-11(10)17-13(19)8-12(14(20)21)16-6-3-7-18/h1-2,4-5,12,16,18H,3,6-8H2,(H,17,19)(H,20,21)/t12-/m1/s1