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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NCCN1)C(=O)N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CNC1=NCCN1)C(=O)N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H34N6O6/c1-16(13-28-23-25-9-10-26-23)21(32)30-11-7-18(8-12-30)20(31)27-14-19(22(33)34)29-24(35)36-15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3,(H,27,31)(H,29,35)(H,33,34)(H2,25,26,28)