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

Systemtic Name: 2-[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[2-[[[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[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(CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)O

InChI

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