5-azanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-5-keto-valeric acid Formula: C16H17N5O6 MolecularWeight: 375.33608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C16H17N5O6/c17-12(22)7-6-11(16(24)25)19-14(23)13-15(21(26)27)20(9-18-13)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,17,22)(H,19,23)(H,24,25)