2-[[3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoyl]amino]acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C19H20N2O4S/c22-17(23)11-20-18(24)14-7-4-8-16(10-14)21-19(25)15(12-26)9-13-5-2-1-3-6-13/h1-8,10,15,26H,9,11-12H2,(H,20,24)(H,21,25)(H,22,23)