Bradykinin, Sar-(D-Phe(8))Des-Arg(9)
[CAS# 126959-88-4]

Identification

• Name: Bradykinin, Sar-(D-Phe(8))Des-Arg(9)
• Synonyms: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-Guanidino-2-[(2-Methylaminoacetyl)Amino]Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoic Acid; (2R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-5-Guanidino-2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-Guanidino-2-(Sarcosylamino)Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₄₇H₆₆N₁₂O₁₁
• Molecular Weight: 975.11
• CAS Registry Number: 126959-88-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)CNC)CCCN=C(N)N)C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@@H](CCC3)C(=O)N[C@H](CC4=CC=CC=C4)C(O)=O)CO)CC5=CC=CC=C5
• InChI: 1S/C47H66N12O11/c1-50-26-38(61)53-31(16-8-20-51-47(48)49)43(66)59-23-11-19-37(59)45(68)58-22-9-17-35(58)41(64)52-27-39(62)54-32(24-29-12-4-2-5-13-29)40(63)56-34(28-60)44(67)57-21-10-18-36(57)42(65)55-33(46(69)70)25-30-14-6-3-7-15-30/h2-7,12-15,31-37,50,60H,8-11,16-28H2,1H3,(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,69,70)(H4,48,49,51)/t31-,32-,33+,34-,35-,36-,37-/m0/s1
• InChIKey: YIUBSFCQATYQJB-VCMDLEIESA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• solubility: Soluble to 2 mg/ml in 30% acetonitrile / water