NFF-3
[CAS# 158584-09-9]

Identification

• Name: NFF-3
• Synonyms: L-Lysinamide, N2-((7-Methoxy-2-Oxo-2H-1-Benzopyran-4-Yl)Acetyl)-L-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-L-Valyl-L-Alpha-Glutamyl-L-Norvalyl-L-Tryptophyl-L-Arginyl-N6-(2,4-Dinitrophenyl)-; Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-Nh2; N2-((7-Methoxy-2-Oxo-2H-1-Benzopyran-4-Yl)Acetyl)-L-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-L-Valyl-L-Alpha-Glutamyl-L-Norvalyl-L-Tryptophyl-L-Arginyl-N6-(2,4-Dinitrophenyl)-L-Lysinamide
• Molecular Formula: C₇₈H₁₁₀N₂₂O₂₀
• Molecular Weight: 1675.86
• CAS Registry Number: 158584-09-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)OC)CCCNC(N)=N)C(N[C@@H](CCCCN)C(N4[C@@H](CCC4)C(N[C@@H](C(C)C)C(=O)N[C@H](C(N[C@@H](CCC)C(N[C@@H](CC5=C[NH]C6=C5C=CC=C6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC7=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C7)C(=O)N)=O)=O)CCC(=O)O)=O)=O)=O
• InChI: 1S/C78H110N22O20/c1-5-16-53(68(106)95-58(37-45-42-88-50-18-7-6-17-48(45)50)71(109)92-54(21-12-33-86-77(81)82)69(107)90-52(67(80)105)19-9-11-32-85-51-28-25-46(99(115)116)40-61(51)100(117)118)91-70(108)55(29-30-64(102)103)93-74(112)66(43(2)3)96-73(111)60-24-15-36-98(60)76(114)57(20-8-10-31-79)94-72(110)59-23-14-35-97(59)75(113)56(22-13-34-87-78(83)84)89-63(101)38-44-39-65(104)120-62-41-47(119-4)26-27-49(44)62/h6-7,17-18,25-28,39-43,52-60,66,85,88H,5,8-16,19-24,29-38,79H2,1-4H3,(H2,80,105)(H,89,101)(H,90,107)(H,91,108)(H,92,109)(H,93,112)(H,94,110)(H,95,106)(H,96,111)(H,102,103)(H4,81,82,86)(H4,83,84,87)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
• InChIKey: TVZDWYYXHAIMCR-BKNSPTOHSA-N
• Protein Sequence: Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2

Properties

• Density: 1.49g/cm³ (Cal.)