3-[4-(2-fluorophenyl)phenyl]-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-fluorophenyl)phenyl]-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-[4-(2-fluorophenyl)phenyl]-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-[4-(2-fluorophenyl)phenyl]-2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-fluorophenyl)phenyl]-2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-[4-(2-fluorophenyl)phenyl]-2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C26H31FN2O4S MolecularWeight: 486.598743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3F)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3F)C(=O)O)S

InChI

InChI=1S/C26H31FN2O4S/c1-16(2)22(34)23(30)29-26(13-5-6-14-26)25(33)28-21(24(31)32)15-17-9-11-18(12-10-17)19-7-3-4-8-20(19)27/h3-4,7-12,16,21-22,34H,5-6,13-15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)