2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]ethyl]amino]ethanoic acid Openeye Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]ethyl]amino]acetic acid CAS Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]ethyl]amino]acetic acid IUPAC Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]ethyl]amino]acetic acid Traditional Name: 2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl-[2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]ethyl]amino]acetic acid Formula: C20H28N4O6 MolecularWeight: 420.45952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCN(CC2=C(C(=NC=C2CO)C)O)CC(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCN(CC2=C(C(=NC=C2CO)C)O)CC(=O)O)CO

InChI

InChI=1S/C20H28N4O6/c1-12-19(29)16(14(10-25)5-22-12)7-21-3-4-24(9-18(27)28)8-17-15(11-26)6-23-13(2)20(17)30/h5-6,21,25-26,29-30H,3-4,7-11H2,1-2H3,(H,27,28)