Bradykinin

CAT: 0024-sc-507311Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-507311Size:5 mg

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CAS Number

58-82-2

Chemical Information

Bradykinin

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+).

CAS Number	58-82-2
PubChem CID	439201
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
Molecular Formula	C50H73N15O11
Molecular Weight	1060.2
XLogP	-4.8
Topological Polar Surface Area	419
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	27
Heavy Atom Count	76
Formal Charge	0
Complexity	2080

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

Chemical Structure

2D Structure

CAS: 58-82-2

CID: 439201

Formula: C50H73N15O11

MW: 1060.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1060.2
XLogP3	-4.8
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	27
Exact Mass	1059.56139820
Monoisotopic Mass	1059.56139820
Topological Polar Surface Area	419 Å²
Heavy Atom Count	76
Formal Charge	0
Complexity	2080
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA5201-25	Bradykinin

Bradykinin

Chemical Information

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