2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylsulfanyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylsulfanyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-pyridylsulfanyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(pyridin-4-ylthio)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylsulfanylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-pyridylthio)propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=NC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=CC=NC=C1)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-10(11(16)17)8-20-9-4-6-14-7-5-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)