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

Systemtic Name: 2-[[1-(2-sulfanylpentanoylamino)cyclopentyl]carbonylamino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[1-(2-sulfanylpentanoylamino)cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-(6-thiophen-2-yl-3-pyridinyl)propanoic acid IUPAC Name: 2-[[1-(2-sulfanylpentanoylamino)cyclopentanecarbonyl]amino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[1-(2-mercaptopentanoylamino)cyclopentanecarbonyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propionic acid Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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