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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-4-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-pyridylmethylsulfanyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(pyridin-4-ylmethylthio)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-4-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-pyridylmethylthio)propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=NC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=NC=C1)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-11(12(17)18)9-21-8-10-4-6-15-7-5-10/h4-7,11H,8-9H2,1-3H3,(H,16,19)(H,17,18)