2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-10(19)24-9-12(14(20)21)7-11-5-6-13(17-8-11)18-15(22)23-16(2,3)4/h5-6,8,12H,7,9H2,1-4H3,(H,20,21)(H,17,18,22)