2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

Systemtic Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [2-[[[2-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[[2-(2-imidazolin-2-ylamino)benzoyl]amino]acetyl] ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

Isomeric SMILES

C1CN=C(N1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

InChI

InChI=1S/C20H22N6O4/c21-18-13(4-3-9-22-18)7-8-16(27)30-17(28)12-25-19(29)14-5-1-2-6-15(14)26-20-23-10-11-24-20/h1-6,9H,7-8,10-12H2,(H2,21,22)(H,25,29)(H2,23,24,26)