phenylalanyl(8)-psi-(methylamino)-arginine(9)-Bradykinin
[CAS# 118122-39-7]

Identification

• Name: phenylalanyl(8)-psi-(methylamino)-arginine(9)-Bradykinin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-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-Phenylpropyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₀H₇₅N₁₅O₁₀
• Molecular Weight: 1046.24
• CAS Registry Number: 118122-39-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)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](CN[C@@H](CCCN=C(N)N)C(O)=O)CC4=CC=CC=C4)CO)CC5=CC=CC=C5
• InChI: 1S/C50H75N15O10/c51-34(16-7-21-56-49(52)53)45(71)65-25-11-20-40(65)47(73)64-24-9-18-38(64)43(69)59-29-41(67)61-36(27-32-14-5-2-6-15-32)42(68)62-37(30-66)46(72)63-23-10-19-39(63)44(70)60-33(26-31-12-3-1-4-13-31)28-58-35(48(74)75)17-8-22-57-50(54)55/h1-6,12-15,33-40,58,66H,7-11,16-30,51H2,(H,59,69)(H,60,70)(H,61,67)(H,62,68)(H,74,75)(H4,52,53,56)(H4,54,55,57)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: XKJBISGEHGXKBF-TZPCGENMSA-N

Properties

• Density: 1.467g/cm³ (Cal.)
• solubility: Soluble to 1 mg/ml in 20% acetonitrile / water