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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

Isomeric SMILES

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

InChI

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