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

Systemtic Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-[4-(2-imidazolin-2-ylamino)butanoyl]isonipecotoyl]amino]propionic acid Formula: C24H34N6O6 MolecularWeight: 502.56336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)CCCNC3=NCCN3

Isomeric SMILES

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)CCCNC3=NCCN3

InChI

InChI=1S/C24H34N6O6/c31-20(7-4-10-25-23-26-11-12-27-23)30-13-8-18(9-14-30)21(32)28-15-19(22(33)34)29-24(35)36-16-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,28,32)(H,29,35)(H,33,34)(H2,25,26,27)