(2R)-2-azanyl-3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[2-[[anilino(oxo)methyl]amino]-2-cyanoethyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[2-cyano-2-(phenylcarbamoylamino)ethyl]thio]propionic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c14-6-10(7-21-8-11(15)12(18)19)17-13(20)16-9-4-2-1-3-5-9/h1-5,10-11H,7-8,15H2,(H,18,19)(H2,16,17,20)/t10?,11-/m0/s1