3-(6-azanyl-5-methyl-pyridin-3-yl)-2-[1-(4-methylpentyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanyl-5-methyl-pyridin-3-yl)-2-[1-(4-methylpentyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-5-methyl-3-pyridyl)-2-(1-isohexylimidazol-4-yl)propanoic acid CAS Name: 3-(6-amino-5-methyl-3-pyridinyl)-2-[1-(4-methylpentyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-amino-5-methylpyridin-3-yl)-2-[1-(4-methylpentyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-5-methyl-3-pyridyl)-2-(1-isohexylimidazol-4-yl)propionic acid Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CC(C2=CN(C=N2)CCCC(C)C)C(=O)O)N

Isomeric SMILES

CC1=C(N=CC(=C1)CC(C2=CN(C=N2)CCCC(C)C)C(=O)O)N

InChI

InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)