2-(methylamino)ethanoic acid; 2-[(phenylmethyl)sulfonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(methylamino)ethanoic acid; 2-[(phenylmethyl)sulfonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-(benzylsulfonylamino)-3-(3-pyridyl)propanoic acid; 2-(methylamino)acetic acid CAS Name: 2-(methylamino)acetic acid; 2-[(phenylmethyl)sulfonylamino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-(benzylsulfonylamino)-3-pyridin-3-ylpropanoic acid; 2-(methylamino)acetic acid Traditional Name: 2-(benzylsulfonylamino)-3-(3-pyridyl)propionic acid; 2-(methylamino)acetic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)O.C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CNCC(=O)O.C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O4S.C3H7NO2/c18-15(19)14(9-13-7-4-8-16-10-13)17-22(20,21)11-12-5-2-1-3-6-12;1-4-2-3(5)6/h1-8,10,14,17H,9,11H2,(H,18,19);4H,2H2,1H3,(H,5,6)