L-Arginyl-L-Prolyl-L-Prolylglycyl-L-Phenylalanyl-L-Seryl-L-Prolyl-L-Phenylalanyl-L-Arginine
[CAS# 6846-03-3]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: L-Arginyl-L-Prolyl-L-Prolylglycyl-L-Phenylalanyl-L-Seryl-L-Prolyl-L-Phenylalanyl-L-Arginine
• Synonyms: (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-[(diaminomethylidene)amino]pentanoic acid; (BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH; (bradykinin triacetate)2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-guanidino-pentanoic acid
• Molecular Formula: C₅₀H₇₂N₁₅O₁₁
• Molecular Weight: 1060.21
• CAS Registry Number: 6846-03-3
• SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
• InChI: 1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: QXZGBUJJYSLZLT-FDISYFBBSA-N
• Protein Sequence: H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH acetate salt

Properties

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

References

• (1): Robert A. Batey and David A. Powell. , Chem. Commun., 2001, 0, 2362.