2-[[1-(2-sulfanylhexanoylamino)cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid

Systemtic Name: 2-[[1-(2-sulfanylhexanoylamino)cyclopentyl]carbonylamino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-(2-sulfanylhexanoylamino)cyclopentanecarbonyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-1-oxohexyl)amino]cyclopentyl]-oxomethyl]amino]-3-[6-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 2-[[1-(2-sulfanylhexanoylamino)cyclopentanecarbonyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-(2-mercaptohexanoylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)