(2S,3S)-2-[(4-cyanophenyl)carbamoylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-cyanophenyl)carbamoylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(4-cyanoanilino)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-butyrate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C#N)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H13N3O4/c1-7(16)10(11(17)18)15-12(19)14-9-4-2-8(6-13)3-5-9/h2-5,7,10,16H,1H3,(H,17,18)(H2,14,15,19)/p-1/t7-,10-/m0/s1