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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(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)