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

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-[6-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propionic acid Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S2/c1-14(2)19(31)20(27)26-23(8-3-4-9-23)22(30)25-18(21(28)29)11-15-5-6-17(24-12-15)16-7-10-32-13-16/h5-7,10,12-14,18-19,31H,3-4,8-9,11H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)