(phenylmethyl) 3-phenyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-phenyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoate Openeye Name: benzyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-3-phenyl-propionic acid benzyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO3S/c28-25(30-18-21-12-6-2-7-13-21)17-24(22-14-8-3-9-15-22)27-26(29)23(19-31)16-20-10-4-1-5-11-20/h1-15,23-24,31H,16-19H2,(H,27,29)