2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: 2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-6-(benzyloxycarbonylamino)hexanoic acid Formula: C25H27N5O7 MolecularWeight: 509.51118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27N5O7/c31-22(21-23(30(35)36)29(17-27-21)15-18-9-3-1-4-10-18)28-20(24(32)33)13-7-8-14-26-25(34)37-16-19-11-5-2-6-12-19/h1-6,9-12,17,20H,7-8,13-16H2,(H,26,34)(H,28,31)(H,32,33)