2-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[3-(methylthio)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(3-methylsulfanylpropanoylamino)-3-phenylpropanoic acid Traditional Name: 2-[3-(methylthio)propanoylamino]-3-phenyl-propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CSCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-18-8-7-12(15)14-11(13(16)17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)