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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-oxidanylidene-2-(phenethylamino)ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-oxo-2-(phenethylamino)ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-oxo-2-(phenethylamino)ethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-oxo-2-(phenethylamino)ethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-2-(phenethylamino)ethyl]imidazol-4-yl]propionic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c22-19-7-6-16(11-24-19)10-17(21(28)29)18-12-26(14-25-18)13-20(27)23-9-8-15-4-2-1-3-5-15/h1-7,11-12,14,17H,8-10,13H2,(H2,22,24)(H,23,27)(H,28,29)