3-[[1-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[[1-(4,5-dihydro-1H-imidazol-2-yl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-[1-(2-imidazolin-2-yl)isonipecotoyl]isonipecotoyl]amino]propionic acid Formula: C26H36N6O6 MolecularWeight: 528.60064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C4=NCCN4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C4=NCCN4

InChI

InChI=1S/C26H36N6O6/c33-22(29-16-21(24(35)36)30-26(37)38-17-18-4-2-1-3-5-18)19-6-12-31(13-7-19)23(34)20-8-14-32(15-9-20)25-27-10-11-28-25/h1-5,19-21H,6-17H2,(H,27,28)(H,29,33)(H,30,37)(H,35,36)