3-[2-(cyanomethylsulfanyl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-3-phenyl-propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c14-6-7-19-9-12(16)15-11(8-13(17)18)10-4-2-1-3-5-10/h1-5,11H,7-9H2,(H,15,16)(H,17,18)