4-[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-(ethanoylsulfanylmethyl)butanoic acid

Systemtic Name: 4-[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-(ethanoylsulfanylmethyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-[5-chloro-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-[5-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]butanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]butyric acid Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC(=C(N=C1)NC(=O)OC(C)(C)C)Cl)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCC1=CC(=C(N=C1)NC(=O)OC(C)(C)C)Cl)C(=O)O

InChI

InChI=1S/C17H23ClN2O5S/c1-10(21)26-9-12(15(22)23)6-5-11-7-13(18)14(19-8-11)20-16(24)25-17(2,3)4/h7-8,12H,5-6,9H2,1-4H3,(H,22,23)(H,19,20,24)