2-[[1-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid

Systemtic Name: 2-[[1-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid Openeye Name: 2-[[1-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(5-phenyl-2-thienyl)propanoic acid CAS Name: 2-[[[1-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-(5-phenyl-2-thiophenyl)propanoic acid IUPAC Name: 2-[[1-[(2-acetylsulfanyl-3-methylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(5-phenylthiophen-2-yl)propanoic acid Traditional Name: 2-[[1-[[2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(5-phenyl-2-thienyl)propionic acid Formula: C26H32N2O5S2 MolecularWeight: 516.67268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(S2)C3=CC=CC=C3)C(=O)O)SC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(S2)C3=CC=CC=C3)C(=O)O)SC(=O)C

InChI

InChI=1S/C26H32N2O5S2/c1-16(2)22(34-17(3)29)23(30)28-26(13-7-8-14-26)25(33)27-20(24(31)32)15-19-11-12-21(35-19)18-9-5-4-6-10-18/h4-6,9-12,16,20,22H,7-8,13-15H2,1-3H3,(H,27,33)(H,28,30)(H,31,32)