3-(6-azanylpyridin-3-yl)-2-[1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[3-(1,3-dioxoisoindolin-2-yl)propyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[3-(1,3-dioxo-2-isoindolyl)propyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(3-phthalimidopropyl)imidazol-4-yl]propionic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

InChI

InChI=1S/C22H21N5O4/c23-19-7-6-14(11-24-19)10-17(22(30)31)18-12-26(13-25-18)8-3-9-27-20(28)15-4-1-2-5-16(15)21(27)29/h1-2,4-7,11-13,17H,3,8-10H2,(H2,23,24)(H,30,31)