3-(6-azanylpyridin-3-yl)-3-[1-[[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-3-[1-[[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(2-methylthiazol-4-yl)isoxazol-3-yl]methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-3-[1-[[5-(2-methyl-4-thiazolyl)-3-isoxazolyl]methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-3-[1-[[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(2-methylthiazol-4-yl)isoxazol-3-yl]methyl]imidazol-4-yl]propionic acid Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N

InChI

InChI=1S/C19H18N6O3S/c1-11-23-16(9-29-11)17-4-13(24-28-17)7-25-8-15(22-10-25)14(5-19(26)27)12-2-3-18(20)21-6-12/h2-4,6,8-10,14H,5,7H2,1H3,(H2,20,21)(H,26,27)