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

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[6-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propionic acid Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-3-15(2)20(32)21(28)27-24(9-4-5-10-24)23(31)26-19(22(29)30)12-16-6-7-18(25-13-16)17-8-11-33-14-17/h6-8,11,13-15,19-20,32H,3-5,9-10,12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)