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Bradykinin

Athanor · official

C50H73N15O11 · 1060.2 g/mol

IUPAC name: (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

Also called BK, kinin, nonapeptide, vasodilator peptide, 9-residue peptide

Hormones
Open in Athanor
The structure of Bradykinin
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(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
Synonyms
BK, kinin, nonapeptide
+ 40 more

vasodilator peptide, 9-residue peptide, L-Bradykinin, Kallidin I, Callidin I, Kallidin-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 acid, BRS-640, S8TIM42R2W, CHEBI:3165, DTXSID50893681, Arg-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, RefChem:388840, DTXCID501323800, Arg Pro Pro Gly Phe Ser Pro Phe Arg, 200-398-8, Synthetic bradykinin, Kallidin 9, Bradykinin (synthetic), RPPGFSPFR, BRS 640, PRS 640, MFCD00076258, Bradykinin Trifluoroacetic Acid, CHEMBL406291, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine, C50H73N15O11, Arg1-Pro2-Pro3-Gly4-Phe5-Ser6-Pro7-Phe8-Arg9, UNII-S8TIM42R2W, bradykinine, [3H]-bradykinin, kinin 9, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine Trifluoroacetic Acid, EINECS 200-398-8, Bradykinin (8CI,9CI), GTPL649, GTPL3812

Molecular formula
C50H73N15O11
Empirical formula
C50H73N15O11
Molecular weight
1060.2 g/mol
Exact mass
1059.56140
CAS number
58-82-2
PubChem CID
439201
Canonical 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)O
Isomeric 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)O
InChI
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
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
76
Rings
5
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.54
H-bond donors
14 computed here · PubChem 12
H-bond acceptors
13 computed here · PubChem 14
Rotatable bonds
27
TPSA (Ų)
413.8 computed here · PubChem 419
Formal charge
0
XLogP3
-4.8 PubChem
Complexity
2080 PubChem
Stereocenters
8 definedCIP: C2: S · C16: S · C23: S · C31: S · C42: S · C51: S · C55: S · C66: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C56.64%
  • H6.94%
  • N19.82%
  • O16.60%

Isotope pattern

100%1059.56161%1060.56420%1061.5675.0%1062.5701063.5721064.574

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-3.57 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.5 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
5.29 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 1060.23
  • log P ≤ 5 (Crippen): -3.57
  • H-bond donors ≤ 5: 14
  • H-bond acceptors ≤ 10: 13

Breaks 3 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Molport, Enamine, Clinivex.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.