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

Systemtic Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[1-[4-(2-imidazolin-2-ylamino)butanoyl]isonipecotoyl]amino]-3-phenyl-propionic acid Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c28-19(7-4-10-23-22-24-11-12-25-22)27-13-8-17(9-14-27)21(31)26-18(15-20(29)30)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,26,31)(H,29,30)(H2,23,24,25)