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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-3-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(2-thienyl)isoxazol-3-yl]methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-3-[1-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-3-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(2-thienyl)isoxazol-3-yl]methyl]imidazol-4-yl]propionic acid Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N

InChI

InChI=1S/C19H17N5O3S/c20-18-4-3-12(8-21-18)14(7-19(25)26)15-10-24(11-22-15)9-13-6-16(27-23-13)17-2-1-5-28-17/h1-6,8,10-11,14H,7,9H2,(H2,20,21)(H,25,26)