2-[[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[5-chloro-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[5-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]propionic acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC(=C(N=C1)NC(=O)OC(C)(C)C)Cl)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC(=C(N=C1)NC(=O)OC(C)(C)C)Cl)C(=O)O

InChI

InChI=1S/C16H21ClN2O5S/c1-9(20)25-8-11(14(21)22)5-10-6-12(17)13(18-7-10)19-15(23)24-16(2,3)4/h6-7,11H,5,8H2,1-4H3,(H,21,22)(H,18,19,23)