2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid

Systemtic Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-1-oxo-3-phenylpropyl)amino]cyclopentyl]-oxomethyl]amino]-3-[6-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 2-[[1-[(3-phenyl-2-sulfanylpropanoyl)amino]cyclopentanecarbonyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-phenyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propionic acid Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h1-3,6-10,13,16-17,22-23,35H,4-5,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)