3-(phenylmethylsulfanyl)-2-[(4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[(4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid CAS Name: 2-[(2-mercapto-1-oxo-4-phenylbutyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(4-phenyl-2-sulfanylbutanoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(2-mercapto-4-phenyl-butanoyl)amino]propionic acid Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S2/c22-19(18(25)12-11-15-7-3-1-4-8-15)21-17(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)