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

Systemtic Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-[2-(4-pyridyl)ethylsulfanyl]propanoic acid CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-pyridin-4-ylethylthio)propanoic acid IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[2-(4-pyridyl)ethylthio]propionic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCCC1=CC=NC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSCCC1=CC=NC=C1)C(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-12(13(18)19)10-22-9-6-11-4-7-16-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1