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

Systemtic Name: 3-phenyl-2-[[3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoyl]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)NC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

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