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

Systemtic Name: (2S,3S)-2-[(3-cyanophenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(3-cyanobenzoyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(3-cyanobenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(3-cyanobenzoyl)amino]-3-hydroxy-butyrate Formula: C12H11N2O4- MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-7(15)10(12(17)18)14-11(16)9-4-2-3-8(5-9)6-13/h2-5,7,10,15H,1H3,(H,14,16)(H,17,18)/p-1/t7-,10-/m0/s1