(2S,3S)-2-[(4-cyanophenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-2-[(4-cyanophenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-hydroxy-butanoic acid CAS Name: (2S,3S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-hydroxybutanoic acid Traditional Name: (2S,3S)-2-[(4-cyanobenzoyl)amino]-3-hydroxy-butyric acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC=C(C=C1)C#N)O

Isomeric SMILES

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

InChI

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