2-(methylsulfanylmethyl)-3-phenyl-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 2-(methylsulfanylmethyl)-3-phenyl-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-benzyl-3-methylsulfanyl-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-2-[(methylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-methylsulfanyl-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-benzyl-2-(3-mercaptopropanoylamino)-3-(methylthio)propionic acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CC1=CC=CC=C1)(C(=O)O)NC(=O)CCS

Isomeric SMILES

CSCC(CC1=CC=CC=C1)(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C14H19NO3S2/c1-20-10-14(13(17)18,15-12(16)7-8-19)9-11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3,(H,15,16)(H,17,18)