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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[4-(tert-butylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[4-(tert-butylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[4-[[(tert-butylamino)-oxomethyl]amino]phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[4-(tert-butylcarbamoylamino)phenyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[4-(tert-butylcarbamoylamino)phenyl]imidazol-4-yl]propionic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-22(2,3)27-21(31)26-15-5-7-16(8-6-15)28-12-18(25-13-28)17(20(29)30)10-14-4-9-19(23)24-11-14/h4-9,11-13,17H,10H2,1-3H3,(H2,23,24)(H,29,30)(H2,26,27,31)