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Biotin-Bradykinin

CAT: 0804-HY-P0206FSize: 1 EachDry Ice: NoHazardous: No
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Description
Biotin-Bradykinin is a biological active peptide. (Biotin labeled HY-P0206)
CAS Number
477319-71-4
UNSPSC
12352209
Target
Bradykinin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/biotin-bradykinin.html
Solubility
10 mM in DMSO
Smiles
[H][C@@]12[C@@](CS[C@H]2CCCCC(N[C@H](C(N3[C@H](C(N4[C@H](C(NCC(N[C@H](C(N[C@H](C(N5[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)CC6=CC=CC=C6)=O)CCC5)=O)CO)=O)CC7=CC=CC=C7)=O)=O)CCC4)=O)CCC3)=O)CCCNC(N)=N)=O)([H])NC(N1)=O
Molecular Formula
C60H87N17O13S
Molecular Weight
1286.50
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

biotin-Bradykinin
CAS Number477319-71-4
PubChem CID168510649
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-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 FormulaC60H87N17O13S
Molecular Weight1286.5
XLogP-1.7
Topological Polar Surface Area488
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Heavy Atom Count91
Formal Charge0
Complexity2620
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CO)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C60H87N17O13S/c61-58(62)65-25-9-18-37(68-47(79)24-8-7-23-46-49-42(34-91-46)73-60(90)74-49)54(85)77-29-13-22-45(77)56(87)76-28-11-20-43(76)52(83)67-32-48(80)69-39(30-35-14-3-1-4-15-35)50(81)72-41(33-78)55(86)75-27-12-21-44(75)53(84)71-40(31-36-16-5-2-6-17-36)51(82)70-38(57(88)89)19-10-26-66-59(63)64/h1-6,14-17,37-46,49,78H,7-13,18-34H2,(H,67,83)(H,68,79)(H,69,80)(H,70,82)(H,71,84)(H,72,81)(H,88,89)(H4,61,62,65)(H4,63,64,66)(H2,73,74,90)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
InChIKey
LOMXVUHTHUQFCP-PTPXOIFGSA-N
Chemical Structure
2D Structure
2D structure of biotin-Bradykinin
CAS: 477319-71-4
CID: 168510649
Formula: C60H87N17O13S
MW: 1286.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1286.5
XLogP3-1.7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Exact Mass1285.63899707
Monoisotopic Mass1285.63899707
Topological Polar Surface Area488 Ų
Heavy Atom Count91
Formal Charge0
Complexity2620
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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