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(Des-Arg⁹) -Bradykinin

CAT: 0121-4006675.0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0121-4006675.0025Size:25 mg
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CAS Number
15958-92-6
Specifications
H-1965.0025
Sequence
H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-OH
Molecular Formula
C₄₄H₆₁N₁₁O₁₀
Molecular Weight
904.04
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

bradykinin, des-Arg(9)-

[des-Arg(9)]-bradykinin is an eight-membered oligopeptide comprising Arg, Pro, Pro, Gly, Phe, Ser, Pro and Phe residues joined in sequence. It is an analogue of bradykinin lacking the Arg residue at position 9. It has a role as a bradykinin receptor B2 agonist. It is a conjugate base of a [des-Arg(9)]-bradykinin(1+).

CAS Number15958-92-6
PubChem CID105044
IUPAC Name(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-phenylpropanoic acid
Molecular FormulaC44H61N11O10
Molecular Weight904.0
XLogP-3.3
Topological Polar Surface Area325
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Heavy Atom Count65
Formal Charge0
Complexity1720
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)O
InChI
InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
VCEHWDBVPZFHAG-POFDKVPJSA-N
Chemical Structure
2D Structure
2D structure of bradykinin, des-Arg(9)-
CAS: 15958-92-6
CID: 105044
Formula: C44H61N11O10
MW: 904.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight904.0
XLogP3-3.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Exact Mass903.46028719
Monoisotopic Mass903.46028719
Topological Polar Surface Area325 Ų
Heavy Atom Count65
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CRB1300684Lys-[Des-Arg 9] Bradykinin Heavy
IBK-4097-VDes-Pro2-Bradykinin
PBK-4067-VDes-Arg9-Bradykinin
GWB-F773C6Bradykinin [Des-Arg9]
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