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

Systemtic Name: 2-[[5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-3-sulfanyl-propanoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-(hydroxymethyl)-3-pyridyl]methyl]-3-sulfanyl-propanoic acid CAS Name: 2-[[5-(hydroxymethyl)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]-3-mercaptopropanoic acid IUPAC Name: 2-[[5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-3-sulfanylpropanoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-5-methylol-3-pyridyl]methyl]-3-mercapto-propionic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=N1)CC(CS)C(=O)O)CO

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=N1)CC(CS)C(=O)O)CO

InChI

InChI=1S/C15H22N2O5S/c1-15(2,3)22-14(21)17-12-10(7-18)4-9(6-16-12)5-11(8-23)13(19)20/h4,6,11,18,23H,5,7-8H2,1-3H3,(H,19,20)(H,16,17,21)