2-azanyl-2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methyl]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methyl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[[2-[bis(tert-butoxycarbonyl)amino]-4-pyridyl]methyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]methyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[[2-[bis(tert-butoxycarbonyl)amino]-4-pyridyl]methyl]-4-(methylthio)butyric acid Formula: C21H33N3O6S MolecularWeight: 455.56822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=CC(=C1)CC(CCSC)(C(=O)O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=CC(=C1)CC(CCSC)(C(=O)O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O6S/c1-19(2,3)29-17(27)24(18(28)30-20(4,5)6)15-12-14(8-10-23-15)13-21(22,16(25)26)9-11-31-7/h8,10,12H,9,11,13,22H2,1-7H3,(H,25,26)