2-azanyl-3-[5-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1H-imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1H-imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]-1H-imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1H-imidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]-1H-imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[5-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]-1H-imidazol-4-yl]propionic acid Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CC2=C(N=CN2)CC(C(=O)O)N)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CC2=C(N=CN2)CC(C(=O)O)N)CO

InChI

InChI=1S/C14H18N4O4/c1-7-13(20)9(8(5-19)4-16-7)2-11-12(18-6-17-11)3-10(15)14(21)22/h4,6,10,19-20H,2-3,5,15H2,1H3,(H,17,18)(H,21,22)