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

Systemtic Name: 2-[[1-[(3-cyclohexyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(3-cyclohexyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(3-cyclohexyl-2-mercapto-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(3-cyclohexyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(3-cyclohexyl-2-mercapto-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propionic acid Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O4S/c1-20(22-8-3-2-4-9-22)26(38)27(34)33-30(15-5-6-16-30)29(37)32-25(28(35)36)18-21-11-13-23(14-12-21)24-10-7-17-31-19-24/h7,10-14,17,19-20,22,25-26,38H,2-6,8-9,15-16,18H2,1H3,(H,32,37)(H,33,34)(H,35,36)