2-[[1-[(4-methylsulfanyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid

Systemtic Name: 2-[[1-[(4-methylsulfanyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-[(4-methylsulfanyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[[2-mercapto-4-(methylthio)-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-(6-thiophen-2-yl-3-pyridinyl)propanoic acid IUPAC Name: 2-[[1-[(4-methylsulfanyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-[[2-mercapto-4-(methylthio)butanoyl]amino]cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propionic acid Formula: C23H29N3O4S3 MolecularWeight: 507.68906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S3/c1-32-12-8-18(31)20(27)26-23(9-2-3-10-23)22(30)25-17(21(28)29)13-15-6-7-16(24-14-15)19-5-4-11-33-19/h4-7,11,14,17-18,31H,2-3,8-10,12-13H2,1H3,(H,25,30)(H,26,27)(H,28,29)