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

Systemtic Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(2-imidazolin-2-ylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN=C(N1)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C22H24N6O4/c29-19-9-15(21(32)27-18(11-20(30)31)14-3-2-6-23-12-14)13-28(19)17-5-1-4-16(10-17)26-22-24-7-8-25-22/h1-6,10,12,15,18H,7-9,11,13H2,(H,27,32)(H,30,31)(H2,24,25,26)