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

Systemtic Name: 3-phenyl-2-[phenylcarbonyl-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]amino]propanoic acid Openeye Name: 2-[benzoyl-[(2-benzyl-3-sulfanyl-propanoyl)amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[benzoyl-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[benzoyl-[(2-benzyl-3-sulfanylpropanoyl)amino]amino]-3-phenylpropanoic acid Traditional Name: 2-[benzoyl-[(2-benzyl-3-mercapto-propanoyl)amino]amino]-3-phenyl-propionic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c29-24(22(18-33)16-19-10-4-1-5-11-19)27-28(25(30)21-14-8-3-9-15-21)23(26(31)32)17-20-12-6-2-7-13-20/h1-15,22-23,33H,16-18H2,(H,27,29)(H,31,32)