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Chemical structure of [Tyr8] Bradykinin

GC26303

[Tyr8] Bradykinin

Also known as 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

[Tyr8] Bradykinin is a B2 kinin receptor agonist

ChemicalCAS32222-00-7MW1076.21FormulaC50H73N15O12
CAS number
32222-00-7
Molecular weight
1076.21
Formula
C50H73N15O12
InChIKey
MWVUEDATXZGOMI-UHFFFAOYSA-N
Catalogue number
GC26303
Brand
GLPBIO
Computed properties PubChem CID 5018571 · XLogP -5.1 · TPSA 439 Ų · H-bond donors 13
XLogP
-5.1
TPSA
439 Ų
H-bond donors
13
H-bond acceptors
15
Rotatable bonds
27
Heavy atoms
77

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=C(C=C5)O)C(=O)NC(CCCN=C(N)N)C(=O)O

Computed descriptors from PubChem (CID 5018571), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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