3-(6-azanylpyridin-3-yl)-2-[1-[4-(propylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[4-(propylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[4-(propylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[4-[[oxo(propylamino)methyl]amino]phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[4-(propylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[4-(propylcarbamoylamino)phenyl]imidazol-4-yl]propionic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=C(C=C1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

CCCNC(=O)NC1=CC=C(C=C1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C21H24N6O3/c1-2-9-23-21(30)26-15-4-6-16(7-5-15)27-12-18(25-13-27)17(20(28)29)10-14-3-8-19(22)24-11-14/h3-8,11-13,17H,2,9-10H2,1H3,(H2,22,24)(H,28,29)(H2,23,26,30)