(2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-cyano-propanoic acid CAS Name: (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-cyano-propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c13-7-6-10(11(15)16)14-12(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,17)(H,15,16)/t10-/m0/s1