2-[1-[2-(4-aminophenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]-3-(6-azanylpyridin-3-yl)propanoic acid

Systemtic Name: 2-[1-[2-(4-aminophenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]-3-(6-azanylpyridin-3-yl)propanoic acid Openeye Name: 2-[1-[2-(4-aminophenyl)-2-oxo-ethyl]imidazol-4-yl]-3-(6-amino-3-pyridyl)propanoic acid CAS Name: 2-[1-[2-(4-aminophenyl)-2-oxoethyl]-4-imidazolyl]-3-(6-amino-3-pyridinyl)propanoic acid IUPAC Name: 2-[1-[2-(4-aminophenyl)-2-oxoethyl]imidazol-4-yl]-3-(6-aminopyridin-3-yl)propanoic acid Traditional Name: 2-[1-[2-(4-aminophenyl)-2-keto-ethyl]imidazol-4-yl]-3-(6-amino-3-pyridyl)propionic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)N

InChI

InChI=1S/C19H19N5O3/c20-14-4-2-13(3-5-14)17(25)10-24-9-16(23-11-24)15(19(26)27)7-12-1-6-18(21)22-8-12/h1-6,8-9,11,15H,7,10,20H2,(H2,21,22)(H,26,27)