(2S)-3-[(3Z)-3-[(4-Arsonophenyl)Hydrazinylidene]-4-Oxo-1-Cyclohexa-1,5-Dienyl]-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]Propanoic Acid
[CAS# 38337-12-1]

Identification

• Name: (2S)-3-[(3Z)-3-[(4-Arsonophenyl)Hydrazinylidene]-4-Oxo-1-Cyclohexa-1,5-Dienyl]-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]Propanoic Acid
• Synonyms: (2S)-3-[(3Z)-3-[(4-Arsonophenyl)Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]Propanoic Acid; (2S)-3-[(3Z)-3-[(4-Arsonophenyl)Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]-2-[[6-[(2,4-Dinitrophenyl)Amino]-1-Oxohexyl]Amino]Propanoic Acid; (2S)-3-[(3Z)-3-[(4-Arsonophenyl)Hydrazono]-4-Keto-1-Cyclohexa-1,5-Dienyl]-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]Propionic Acid
• Molecular Formula: C₂₇H₂₉AsN₆O₁₁
• Molecular Weight: 688.48
• CAS Registry Number: 38337-12-1
• SMILES: [C@H](NC(=O)CCCCCNC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)(CC3=CC(=N/NC2=CC=C([As](O)(O)=O)C=C2)/C(=O)C=C3)C(O)=O
• 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
• InChIKey: YJAFMNNMNGSYKQ-CRCDLGLBSA-N