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

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-mercapto-propionic acid Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S2/c15-12(14-11(8-19)13(16)17)10(7-18)6-9-4-2-1-3-5-9/h1-5,10-11,18-19H,6-8H2,(H,14,15)(H,16,17)