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Chemical structure of Human β-defensin-1

GC69244

Human β-defensin-1

Also known as (2S)-2-[[(aR,1R,7S,10S,13S,16S,19S,22S,25S,31S,34R,37S,40S,46S,49S,52S,55R,60R,63S,66S,69S,78S,81R,84S,87S,90S,93S)-60-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-19,46,52-tris(4-aminobutyl)-25,78-bis(3-amino-3-oxopropyl)-13-benzyl-10,22-bis[(2S)-butan-2-yl]-40-(3-carbamimidamidopropyl)-16,31-bis[(1R)-1-hydroxyethyl]-66,69,90-tris(hydroxymethyl)-37,87-bis[(4-hydroxyphenyl)methyl]-49,93-dimethyl-84-(2-methylpropyl)-2,2a,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,61,64,67,70,73,76,79,82,85,88,91,94-triacontaoxo-63-propan-2-yl-4a,5a,57,58,97,98-hexathia-1a,3,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,62,65,68,71,74,77,80,83,86,89,92,95-triacontazatetracyclo[53.40.7.434,81.03,7]hexahectane-a-carbonyl]amino]-6-aminohexanoic acid

Human β-defensin-1 (HβD-1) is a cationic skin antimicrobial peptide (SAP) rich in cysteine, produced by epithelial cells and also by circulating cells and reproductive tract cells· HβD-1 has antibacterial activity

ChemicalCAS452274-53-2MW3928.53FormulaC167H256N48O50S6
CAS number
452274-53-2
Molecular weight
3928.53
Formula
C167H256N48O50S6
InChIKey
CLAFBNXESHRGJL-YYSGPKNVSA-N
Catalogue number
GC69244
Brand
GLPBIO
Computed properties PubChem CID 171921199 · XLogP -14.4 · TPSA 1750 Ų · H-bond donors 56
XLogP
-14.4
TPSA
1750 Ų
H-bond donors
56
H-bond acceptors
63
Rotatable bonds
64
Heavy atoms
271

SMILES CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)CCC(=O)N)CO)CO)C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CC(=O)O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)C)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N7CCC[C@H]7C(=O)N1)C)CO)CC8=CC=C(C=C8)O)CC(C)C)[C@@H](C)O)CCC(=O)N)[C@@H](C)CC)CCCCN)[C@@H](C)O)CC9=CC=CC=C9

Computed descriptors from PubChem (CID 171921199), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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