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Chemical structure of Bradykinin

GC35548

Bradykinin

Also known as (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

Bradykinin is an active peptide that is generated by the kallikrein-kinin system

ChemicalCAS58-82-2MW1060.21FormulaC50H73N15O11
CAS number
58-82-2
Molecular weight
1060.21
Formula
C50H73N15O11
Solubility
Water： ≥ 100 mg/mL (94·32 mM)
InChIKey
QXZGBUJJYSLZLT-FDISYFBBSA-N
Catalogue number
GC35548
Brand
GLPBIO
Computed properties PubChem CID 439201 · XLogP -4.8 · TPSA 419 Ų · H-bond donors 12
XLogP
-4.8
TPSA
419 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
27
Heavy atoms
76

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

Computed descriptors from PubChem (CID 439201), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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