2-(2-chloranylethanoylamino)-3-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-3-(phenylmethylsulfanyl)butanoic acid Openeye Name: 3-benzylsulfanyl-2-[(2-chloroacetyl)amino]butanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(phenylmethylthio)butanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(2-chloroacetyl)amino]butanoic acid Traditional Name: 3-(benzylthio)-2-[(2-chloroacetyl)amino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCl)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCl)SCC1=CC=CC=C1

InChI

InChI=1S/C13H16ClNO3S/c1-9(12(13(17)18)15-11(16)7-14)19-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,15,16)(H,17,18)