Bradykinin
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular Identity
Bradykinin
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
PubChem CID: 439201
Bradykinin is a linear nonapeptide messenger belonging to the kinin group of proteins, with amino acid sequence RPPGFSPFR. Enzymatically produced from kallidin in the blood, it is a powerful vasodilator that causes smooth muscle contraction, and may mediate inflammation. It has a role as a vasodilator agent and a human blood serum metabolite. It is a conjugate base of a bradykinin(2+).
2D Structure
Properties
C50H73N15O11
Molecular Formula
1060.20
Molecular Weight
g/mol
1059.5614
Exact Mass
Da
-4.8
XLogP
Drug-like (Lipinski: < 5)
419
TPSA
May have limited oral absorption
12
H-Bond Donors
14
H-Bond Acceptors
2080
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)OIsomeric SMILES
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(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](CCCN=C(N)N)C(=O)OSynonyms(20)
BRADYKININ58-82-2L-BradykininKallidin ICallidin IKallidin-9(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidBRS-640S8TIM42R2WCHEBI:3165DTXSID50893681Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg(2S)-2-(((2S)-2-(((2S)-1-((2S)-2-(((2S)-2-((2-(((2S)-1-((2S)-1-((2S)-2-amino-5-(diaminomethylideneamino)pentanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl)amino)acetyl)amino)-3-phenylpropanoyl)amino)-3-hydroxypropanoyl)pyrrolidine-2-carbonyl)amino)-3-phenylpropanoyl)amino)-5-(diaminomethylideneamino)pentanoic acid(2S)-2-((2S)-2-(((2S)-1-((2S)-2-((2S)-2-(2-(((2S)-1-(((2S)-1-((2S)-2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl)carbonyl)pyrrolidin-2-yl)formamido)acetamido)-3-phenylpropanamido)-3-hydroxypropanoyl)pyrrolidin-2-yl)formamido)-3-phenylpropanamido)-5-carbamimidamidopentanoic acid(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.