2-[cyclopropylmethyl(2-pyridin-4-ylsulfanylethanoyl)amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl(2-pyridin-4-ylsulfanylethanoyl)amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-[2-(4-pyridylsulfanyl)acetyl]amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(2-pyridin-4-ylsulfanylacetyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-[2-(4-pyridylthio)acetyl]amino]acetic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CC1CN(CC(=O)O)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C13H16N2O3S/c16-12(9-19-11-3-5-14-6-4-11)15(8-13(17)18)7-10-1-2-10/h3-6,10H,1-2,7-9H2,(H,17,18)