2-[[1-[(2-cyclohexyl-2-sulfanyl-ethanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(2-cyclohexyl-2-sulfanyl-ethanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(2-cyclohexyl-2-sulfanyl-acetyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-cyclohexyl-2-mercapto-1-oxoethyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(2-cyclohexyl-2-sulfanylacetyl)amino]cyclopentanecarbonyl]amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-cyclohexyl-2-mercapto-acetyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propionic acid Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC2(CCCC2)C(=O)NC(CC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O)S

Isomeric SMILES

C1CCC(CC1)C(C(=O)NC2(CCCC2)C(=O)NC(CC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O)S

InChI

InChI=1S/C28H35N3O4S/c32-25(24(36)21-7-2-1-3-8-21)31-28(14-4-5-15-28)27(35)30-23(26(33)34)17-19-10-12-20(13-11-19)22-9-6-16-29-18-22/h6,9-13,16,18,21,23-24,36H,1-5,7-8,14-15,17H2,(H,30,35)(H,31,32)(H,33,34)