3-[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CN=C(N1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N6O4/c27-17(26-16(10-18(28)29)14-4-2-6-21-11-14)12-24-19(30)13-3-1-5-15(9-13)25-20-22-7-8-23-20/h1-6,9,11,16H,7-8,10,12H2,(H,24,30)(H,26,27)(H,28,29)(H2,22,23,25)