2-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 2-[(2-mercapto-2-methyl-1-oxo-3-phenylpropyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(2-mercapto-2-methyl-3-phenyl-propanoyl)amino]propionic acid Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NC(CSCC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NC(CSCC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C20H23NO3S2/c1-20(25,12-15-8-4-2-5-9-15)19(24)21-17(18(22)23)14-26-13-16-10-6-3-7-11-16/h2-11,17,25H,12-14H2,1H3,(H,21,24)(H,22,23)