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

Systemtic Name: 2-[[1-[(3-cyclohexyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-[(3-cyclohexyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(3-cyclohexyl-2-mercapto-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-(6-thiophen-2-yl-3-pyridinyl)propanoic acid IUPAC Name: 2-[[1-[(3-cyclohexyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-[(3-cyclohexyl-2-mercapto-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propionic acid Formula: C28H37N3O4S2 MolecularWeight: 543.74108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)C(C(=O)NC2(CCCC2)C(=O)NC(CC3=CN=C(C=C3)C4=CC=CS4)C(=O)O)S

Isomeric SMILES

CC(C1CCCCC1)C(C(=O)NC2(CCCC2)C(=O)NC(CC3=CN=C(C=C3)C4=CC=CS4)C(=O)O)S

InChI

InChI=1S/C28H37N3O4S2/c1-18(20-8-3-2-4-9-20)24(36)25(32)31-28(13-5-6-14-28)27(35)30-22(26(33)34)16-19-11-12-21(29-17-19)23-10-7-15-37-23/h7,10-12,15,17-18,20,22,24,36H,2-6,8-9,13-14,16H2,1H3,(H,30,35)(H,31,32)(H,33,34)