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Met-Lys-Bradykinin

CAT: 1410-M40929Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M40929Size:1 Each
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Description
Methionyl-Lysyl-Bradykinin (Met-Lys-Bradykinin), a Bradykinin analogue, is a kinin.
CAS Number
550-19-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1319.61
Molecular Formula
C61H94N18O13S
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

bradykinin, Met-Lys-
CAS Number550-19-6
PubChem CID3035449
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]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 FormulaC61H94N18O13S
Molecular Weight1319.6
XLogP-4.9
Topological Polar Surface Area528
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count38
Heavy Atom Count93
Formal Charge0
Complexity2570
SMILES
CSCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=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)N
InChI
InChI=1S/C61H94N18O13S/c1-93-32-25-39(63)50(82)72-40(19-8-9-26-62)51(83)73-41(20-10-27-68-60(64)65)56(88)79-31-14-24-48(79)58(90)78-30-12-22-46(78)54(86)70-35-49(81)71-43(33-37-15-4-2-5-16-37)52(84)76-45(36-80)57(89)77-29-13-23-47(77)55(87)75-44(34-38-17-6-3-7-18-38)53(85)74-42(59(91)92)21-11-28-69-61(66)67/h2-7,15-18,39-48,80H,8-14,19-36,62-63H2,1H3,(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,74,85)(H,75,87)(H,76,84)(H,91,92)(H4,64,65,68)(H4,66,67,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChIKey
SSXPFNXUSFJJEI-BHEJXMHWSA-N
Chemical Structure
2D Structure
2D structure of bradykinin, Met-Lys-
CAS: 550-19-6
CID: 3035449
Formula: C61H94N18O13S
MW: 1319.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1319.6
XLogP3-4.9
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count38
Exact Mass1318.69684630
Monoisotopic Mass1318.69684630
Topological Polar Surface Area528 Ų
Heavy Atom Count93
Formal Charge0
Complexity2570
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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