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

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-thiophen-2-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(2-thienyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(2-thienyl)phenyl]propionic acid Formula: C24H30N2O4S2 MolecularWeight: 474.636

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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=CS3)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CS3)C(=O)O)S

InChI

InChI=1S/C24H30N2O4S2/c1-15(2)20(31)21(27)26-24(11-3-4-12-24)23(30)25-18(22(28)29)14-16-7-9-17(10-8-16)19-6-5-13-32-19/h5-10,13,15,18,20,31H,3-4,11-12,14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)