2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-(4-phenylthiophen-2-yl)propanoic acid

Systemtic Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-(4-phenylthiophen-2-yl)propanoic acid Openeye Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenyl-2-thienyl)propanoic acid CAS Name: 2-[[[1-[(2-mercapto-1-oxo-3-phenylpropyl)amino]cyclopentyl]-oxomethyl]amino]-3-(4-phenyl-2-thiophenyl)propanoic acid IUPAC Name: 2-[[1-[(3-phenyl-2-sulfanylpropanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenylthiophen-2-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-phenyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenyl-2-thienyl)propionic acid Formula: C28H30N2O4S2 MolecularWeight: 522.6788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC(=CS2)C3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

Isomeric SMILES

C1CCC(C1)(C(=O)NC(CC2=CC(=CS2)C3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

InChI

InChI=1S/C28H30N2O4S2/c31-25(24(35)15-19-9-3-1-4-10-19)30-28(13-7-8-14-28)27(34)29-23(26(32)33)17-22-16-21(18-36-22)20-11-5-2-6-12-20/h1-6,9-12,16,18,23-24,35H,7-8,13-15,17H2,(H,29,34)(H,30,31)(H,32,33)