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

Systemtic Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(4,5-dihydro-1H-imidazol-2-ylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(2-imidazolin-2-ylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H25N7O5 MolecularWeight: 479.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O5/c31-19-9-15(21(34)28-18(11-20(32)33)14-3-2-6-24-12-14)13-30(19)17-5-1-4-16(10-17)27-23(35)29-22-25-7-8-26-22/h1-6,10,12,15,18H,7-9,11,13H2,(H,28,34)(H,32,33)(H3,25,26,27,29,35)