N-Benzylglycylglycylglycyl-L-Phenylalanyl-L-Threonylglycyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Seryl-L-Alanyl-L-Arginyl-L-Lysinamide
[CAS# 267234-08-2]

Identification

• Name: N-Benzylglycylglycylglycyl-L-Phenylalanyl-L-Threonylglycyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Seryl-L-Alanyl-L-Arginyl-L-Lysinamide
• Synonyms: [N Phe1]NC(1-13)NH2; [Nphe1]Nociceptin(1-13)NH2
• Molecular Formula: C₆₁H₁₀₀N₂₂O₁₅
• Molecular Weight: 1381.59
• CAS Registry Number: 267234-08-2
• 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)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)CNCC2=CC=CC=C2)O
• InChI: 1S/C61H100N22O15/c1-35(75-48(88)33-74-59(98)50(37(3)85)83-57(96)44(28-38-16-6-4-7-17-38)77-49(89)32-73-47(87)31-72-46(86)30-69-29-39-18-8-5-9-19-39)52(91)79-43(23-15-27-71-61(67)68)55(94)81-41(21-11-13-25-63)56(95)82-45(34-84)58(97)76-36(2)53(92)80-42(22-14-26-70-60(65)66)54(93)78-40(51(64)90)20-10-12-24-62/h4-9,16-19,35-37,40-45,50,69,84-85H,10-15,20-34,62-63H2,1-3H3,(H2,64,90)(H,72,86)(H,73,87)(H,74,98)(H,75,88)(H,76,97)(H,77,89)(H,78,93)(H,79,91)(H,80,92)(H,81,94)(H,82,95)(H,83,96)(H4,65,66,70)(H4,67,68,71)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,50-/m0/s1
• InChIKey: NMBZIPCESQREMT-UVDGFCMYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.653 (Cal.)
• solubility: Soluble to 1 mg/ml in 10% acetonitrile