3-[[3-(6-azanylhexanoylamino)-5-nitro-phenyl]carbonylamino]propanoic acid; methanoic acid

Systemtic Name: 3-[[3-(6-azanylhexanoylamino)-5-nitro-phenyl]carbonylamino]propanoic acid; methanoic acid Openeye Name: 3-[[3-(6-aminohexanoylamino)-5-nitro-benzoyl]amino]propanoic acid; formic acid CAS Name: 3-[[[3-[(6-amino-1-oxohexyl)amino]-5-nitrophenyl]-oxomethyl]amino]propanoic acid; formic acid IUPAC Name: 3-[[3-(6-aminohexanoylamino)-5-nitrobenzoyl]amino]propanoic acid; formic acid Traditional Name: 3-[[3-(6-aminohexanoylamino)-5-nitro-benzoyl]amino]propionic acid; formic acid Formula: C17H24N4O8 MolecularWeight: 412.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CCCCCN)[N+](=O)[O-])C(=O)NCCC(=O)O.C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CCCCCN)[N+](=O)[O-])C(=O)NCCC(=O)O.C(=O)O

InChI

InChI=1S/C16H22N4O6.CH2O2/c17-6-3-1-2-4-14(21)19-12-8-11(9-13(10-12)20(25)26)16(24)18-7-5-15(22)23;2-1-3/h8-10H,1-7,17H2,(H,18,24)(H,19,21)(H,22,23);1H,(H,2,3)