(2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-[6-[(2,4-dinitrophenyl)amino]hexanoylamino]propanoic acid

Systemtic Name: (2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-[6-[(2,4-dinitrophenyl)amino]hexanoylamino]propanoic acid Openeye Name: (2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]-2-[6-(2,4-dinitroanilino)hexanoylamino]propanoic acid CAS Name: (2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]-2-[[6-(2,4-dinitroanilino)-1-oxohexyl]amino]propanoic acid IUPAC Name: (2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]-2-[6-(2,4-dinitroanilino)hexanoylamino]propanoic acid Traditional Name: (2S)-3-[(3Z)-3-[(4-arsonophenyl)hydrazono]-4-keto-cyclohexa-1,5-dien-1-yl]-2-[6-(2,4-dinitroanilino)hexanoylamino]propionic acid Formula: C27H29AsN6O11 MolecularWeight: 688.47436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C=CC2=O)CC(C(=O)O)NC(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[As](=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C=C(C=CC2=O)C[C@@H](C(=O)O)NC(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[As](=O)(O)O

InChI

InChI=1S/C27H29AsN6O11/c35-25-12-5-17(14-22(25)32-31-19-8-6-18(7-9-19)28(39,40)41)15-23(27(37)38)30-26(36)4-2-1-3-13-29-21-11-10-20(33(42)43)16-24(21)34(44)45/h5-12,14,16,23,29,31H,1-4,13,15H2,(H,30,36)(H,37,38)(H2,39,40,41)/b32-22-/t23-/m0/s1