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

Systemtic Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidin-4-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[4-(2-imidazolin-2-ylamino)butanoyl]isonipecotoyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C(=O)CCCNC3=NCCN3

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C(=O)CCCNC3=NCCN3

InChI

InChI=1S/C21H30N6O4/c28-18(4-2-8-23-21-24-9-10-25-21)27-11-5-15(6-12-27)20(31)26-17(13-19(29)30)16-3-1-7-22-14-16/h1,3,7,14-15,17H,2,4-6,8-13H2,(H,26,31)(H,29,30)(H2,23,24,25)