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

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-phenylthiophen-2-yl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenyl-2-thienyl)propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-(4-phenyl-2-thiophenyl)propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenylthiophen-2-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenyl-2-thienyl)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(=CS2)C3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC(=CS2)C3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C24H30N2O4S2/c1-15(2)20(31)21(27)26-24(10-6-7-11-24)23(30)25-19(22(28)29)13-18-12-17(14-32-18)16-8-4-3-5-9-16/h3-5,8-9,12,14-15,19-20,31H,6-7,10-11,13H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)