3-Nitro-2-Pyridinesulfenyl Dynorphin Derivative
[CAS# 139883-41-3]

Identification

• Name: 3-Nitro-2-Pyridinesulfenyl Dynorphin Derivative
• Synonyms: Npys-Dynorphin Derivative; Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-(Npys)-Arg; Tyrosyl-Glycyl-Glycyl-Phenylalanyl-Leucyl-Arginyl-Arginyl-Cysteinyl-(Npys)-Arginine
• Molecular Formula: C₅₄H₈₀N₂₀O₁₃S₂
• Molecular Weight: 1281.47
• CAS Registry Number: 139883-41-3
• SMILES: [C@H](CCCNC(N)=N)(C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(=O)O)=O)CSSC1=NC=CC=C1[N+](=O)[O-])=O)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](NC(CNC(CNC(=O)[C@H](CC2=CC=C(C=C2)O)N)=O)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)=O
• InChI: 1S/C54H80N20O13S2/c1-30(2)24-38(72-48(82)39(26-31-10-4-3-5-11-31)68-43(77)28-66-42(76)27-67-44(78)34(55)25-32-16-18-33(75)19-17-32)47(81)70-35(12-6-21-63-52(56)57)45(79)69-36(13-7-22-64-53(58)59)46(80)73-40(29-88-89-50-41(74(86)87)15-9-20-62-50)49(83)71-37(51(84)85)14-8-23-65-54(60)61/h3-5,9-11,15-20,30,34-40,75H,6-8,12-14,21-29,55H2,1-2H3,(H,66,76)(H,67,78)(H,68,77)(H,69,79)(H,70,81)(H,71,83)(H,72,82)(H,73,80)(H,84,85)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t34-,35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: GUISFAAFGLIARN-OAKHNGAUSA-N

Properties

• Density: 1.51g/cm³ (Cal.)