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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-oxo-2-(3-phenylpropylamino)ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-oxo-2-(3-phenylpropylamino)ethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-2-(3-phenylpropylamino)ethyl]imidazol-4-yl]propionic acid Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c23-20-9-8-17(12-25-20)11-18(22(29)30)19-13-27(15-26-19)14-21(28)24-10-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,12-13,15,18H,4,7,10-11,14H2,(H2,23,25)(H,24,28)(H,29,30)