(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-[[(2R)-2-oxidanylpropyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-[[(2R)-2-oxidanylpropyl]azaniumyl]butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-[[(2R)-2-hydroxypropyl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-keto-butyrate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C(CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-])O

Isomeric SMILES

C[C@H](C[NH2+][C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-])O

InChI

InChI=1S/C14H17N3O4/c1-9(18)8-16-12(14(20)21)6-13(19)17-11-5-3-2-4-10(11)7-15/h2-5,9,12,16,18H,6,8H2,1H3,(H,17,19)(H,20,21)/t9-,12-/m1/s1