3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-(tert-butoxycarbonylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSCC(CC(=O)O)C(=O)C1=CN=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCSCC(CC(=O)O)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(23)19-7-8-25-11-13(9-14(20)21)15(22)12-5-4-6-18-10-12/h4-6,10,13H,7-9,11H2,1-3H3,(H,19,23)(H,20,21)