Bis(alpha-Bromoacetyl-epsilon-2,4-Dinitrophenyllysylproline)Ethylenediamine
[CAS# 61556-53-4]

Identification

• Name: Bis(alpha-Bromoacetyl-epsilon-2,4-Dinitrophenyllysylproline)Ethylenediamine
• Synonyms: (2S)-1-[(2S)-2-[(2-Bromo-1-Oxoethyl)Amino]-6-[(2,4-Dinitrophenyl)Amino]-1-Oxohexyl]-N-[2-[[[(2S)-1-[(2S)-2-[(2-Bromo-1-Oxoethyl)Amino]-6-[(2,4-Dinitrophenyl)Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Ethyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-(2-Bromoethanoylamino)-6-[(2,4-Dinitrophenyl)Amino]Hexanoyl]-N-[2-[[(2S)-1-[(2S)-2-(2-Bromoethanoylamino)-6-[(2,4-Dinitrophenyl)Amino]Hexanoyl]Pyrrolidin-2-Yl]Carbonylamino]Ethyl]Pyrrolidine-2-Carboxamide; 1,2-Ethanediamine, N,N'-Bis(1-(N(2)-(Bromoacetyl)-N(6)-(2,4-Dinitrophenyl)-L-Lysyl)-L-Prolyl)-
• Molecular Formula: C₄₀H₅₂Br₂N₁₂O₁₄
• Molecular Weight: 1084.73
• CAS Registry Number: 61556-53-4
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)CBr)CCCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)CCC2)C(=O)NCCNC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)CBr)CCCCNC3=CC=C([N+]([O-])=O)C=C3[N+]([O-])=O)CCC4
• InChI: 1S/C40H52Br2N12O14/c41-23-35(55)47-29(7-1-3-15-43-27-13-11-25(51(61)62)21-33(27)53(65)66)39(59)49-19-5-9-31(49)37(57)45-17-18-46-38(58)32-10-6-20-50(32)40(60)30(48-36(56)24-42)8-2-4-16-44-28-14-12-26(52(63)64)22-34(28)54(67)68/h11-14,21-22,29-32,43-44H,1-10,15-20,23-24H2,(H,45,57)(H,46,58)(H,47,55)(H,48,56)/t29-,30-,31-,32-/m0/s1
• InChIKey: QRTKDHVYTQIMDR-YDPTYEFTSA-N