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

Systemtic Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidin-4-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[1-[4-(2-imidazolin-2-ylamino)butanoyl]isonipecotoyl]amino]-3-(3-quinolyl)propionic acid Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)CCCNC4=NCCN4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)CCCNC4=NCCN4

InChI

InChI=1S/C25H32N6O4/c32-22(6-3-9-26-25-27-10-11-28-25)31-12-7-17(8-13-31)24(35)30-21(15-23(33)34)19-14-18-4-1-2-5-20(18)29-16-19/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,30,35)(H,33,34)(H2,26,27,28)