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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-2-methyl-3-pyridyl]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[2-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-2-methyl-3-pyridyl]propionic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=O)OC(C)(C)C)CC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)NC(=O)OC(C)(C)C)CC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C17H24N2O5S/c1-10-12(8-13(15(21)22)9-25-11(2)20)6-7-14(18-10)19-16(23)24-17(3,4)5/h6-7,13H,8-9H2,1-5H3,(H,21,22)(H,18,19,23)