L-Phenylalanylglycylglycyl-L-Phenylalanyl-L-Threonylglycyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Seryl-L-Alanyl-L-Arginyl-L-Lysyl-L-Arginyl-L-Lysyl-L-Asparaginyl-L-Glutamine
[CAS# 236098-40-1]

Identification

• Name: L-Phenylalanylglycylglycyl-L-Phenylalanyl-L-Threonylglycyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Seryl-L-Alanyl-L-Arginyl-L-Lysyl-L-Arginyl-L-Lysyl-L-Asparaginyl-L-Glutamine
• Synonyms: [Arg14,Lys15]Nociceptin
• Molecular Formula: C₈₂H₁₃₆N₃₁O₂₂
• Molecular Weight: 1909.16
• CAS Registry Number: 236098-40-1
• SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O
• InChI: 1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
• InChIKey: VULLMZOQBGUKAT-VUXBHJHDSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.669 (Cal.)
• solubility: Soluble to 1 mg/ml in water