(2,4-Dinitrophenyl)Aminohexanoylangiotensin II
[CAS# 115082-70-7]

Identification

• Name: (2,4-Dinitrophenyl)Aminohexanoylangiotensin II
• Synonyms: Dnp-Ahx-Aii; Dnp-Ahx-Angiotensin Ii
• Molecular Formula: C₆₂H₈₄N₁₆O₁₇
• Molecular Weight: 1325.44
• CAS Registry Number: 115082-70-7
• SMILES: [C@@H](CC(=O)O)(NC(=O)CCCCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N2CCC[C@H]2C(N[C@@H](CC3=CC=CC=C3)C(=O)O)=O)=O)CC4=CN=C[NH]4)=O)=O)CC5=CC=C(C=C5)O)=O)C(C)C)=O)CCCNC(N)=N)=O
• InChI: 1S/C62H84N16O17/c1-5-36(4)53(59(88)72-46(30-39-33-65-34-68-39)60(89)76-27-13-17-48(76)57(86)73-47(61(90)91)29-37-14-8-6-9-15-37)75-56(85)44(28-38-19-22-41(79)23-20-38)71-58(87)52(35(2)3)74-54(83)43(16-12-26-67-62(63)64)70-55(84)45(32-51(81)82)69-50(80)18-10-7-11-25-66-42-24-21-40(77(92)93)31-49(42)78(94)95/h6,8-9,14-15,19-24,31,33-36,43-48,52-53,66,79H,5,7,10-13,16-18,25-30,32H2,1-4H3,(H,65,68)(H,69,80)(H,70,84)(H,71,87)(H,72,88)(H,73,86)(H,74,83)(H,75,85)(H,81,82)(H,90,91)(H4,63,64,67)/t36-,43-,44-,45-,46-,47-,48-,52-,53-/m0/s1
• InChIKey: IIAUBCAFPLNMOR-BGMMQYMTSA-N

Properties

• Density: 1.45g/cm³ (Cal.)