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

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-[4-(4-methylsulfanylphenyl)phenyl]propanoic acid Openeye Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(4-methylsulfanylphenyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-[4-(methylthio)phenyl]phenyl]propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(4-methylsulfanylphenyl)phenyl]propanoic acid Traditional Name: 2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-[4-(methylthio)phenyl]phenyl]propionic acid Formula: C28H36N2O4S2 MolecularWeight: 528.72644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4S2/c1-18(2)16-24(35)25(31)30-28(14-4-5-15-28)27(34)29-23(26(32)33)17-19-6-8-20(9-7-19)21-10-12-22(36-3)13-11-21/h6-13,18,23-24,35H,4-5,14-17H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)