2-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-pyridin-3-yl]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-pyridin-3-yl]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-[bis(tert-butoxycarbonyl)amino]-4-methyl-3-pyridyl]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-methyl-3-pyridinyl]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpyridin-3-yl]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-[bis(tert-butoxycarbonyl)amino]-4-methyl-3-pyridyl]propionic acid Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1CC(CSC(=O)C)C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1CC(CSC(=O)C)C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O7S/c1-13-9-17(23-11-15(13)10-16(18(26)27)12-32-14(2)25)24(19(28)30-21(3,4)5)20(29)31-22(6,7)8/h9,11,16H,10,12H2,1-8H3,(H,26,27)