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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-(cyclohexylamino)-2-oxo-ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-(cyclohexylamino)-2-oxoethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-(cyclohexylamino)-2-oxoethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-(cyclohexylamino)-2-keto-ethyl]imidazol-4-yl]propionic acid Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C19H25N5O3/c20-17-7-6-13(9-21-17)8-15(19(26)27)16-10-24(12-22-16)11-18(25)23-14-4-2-1-3-5-14/h6-7,9-10,12,14-15H,1-5,8,11H2,(H2,20,21)(H,23,25)(H,26,27)