CAS 372146-20-8 is the registry number for Human β-defensin-2. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-1-[(2S)-2-[[(2S)-2-[[(1R,6aR,7S,10S,13S,16S,19S,22S,25S,31S,34R,40S,46S,52S,55S,58R,63R,66S,69S,72S,78S,81S,84R,87S,93S,96S,99S)-63-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-19,55,69-tris(4-aminobutyl)-22-(3-amino-3-oxopropyl)-99-benzyl-25,81-bis[(2S)-butan-2-yl]-10,13-bis(3-carbamimidamidopropyl)-31,52-bis[(1R)-1-hydroxyethyl]-72-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-87-(1H-imidazol-5-ylmethyl)-78-methyl-40,66-bis(2-methylpropyl)-a,2,8,8a,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,64,67,70,73,76,79,82,85,88,94,97-triacontaoxo-96-propan-2-yl-3a,4a,10a,11a,60,61-hexathia-1a,3,7a,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57,65,68,71,74,77,80,83,86,89,95,98-triacontazahexacyclo[56.43.7.434,84.03,7.042,46.089,93]dodecahectane-6a-carbonyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CAS 372146-20-8) is a chemical compound with the molecular formula C190H306F3N55O52S6 and a molecular weight of 4442 g/mol. IUPAC name: (2S)-1-[(2S)-2-[[(2S)-2-[[(1R,6aR,7S,10S,13S,16S,19S,22S,25S,31S,34R,40S,46S,52S,55S,58R,63R,66S,69S,72S,78S,81S,84R,87S,93S,96S,99S)-63-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-19,55,69-tris(4-aminobutyl)-22-(3-amino-3-oxopropyl)-99-benzyl-25,81-bis[(2S)-butan-2-yl]-10,13-bis(3-carbamimidamidopropyl)-31,52-bis[(1R)-1-hydroxyethyl]-72-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-87-(1H-imidazol-5-ylmethyl)-78-methyl-40,66-bis(2-methylpropyl)-a,2,8,8a,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,64,67,70,73,76,79,82,85,88,94,97-triacontaoxo-96-propan-2-yl-3a,4a,10a,11a,60,61-hexathia-1a,3,7a,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57,65,68,71,74,77,80,83,86,89,95,98-triacontazahexacyclo[56.43.7.434,84.03,7.042,46.089,93]dodecahectane-6a-carbonyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid. InChIKey: JJDUNZFWULIMFT-YIYXCTSTSA-N.
| Molecular formula | C190H306F3N55O52S6 |
|---|---|
| Molecular weight | 4442 g/mol |
| IUPAC name | (2S)-1-[(2S)-2-[[(2S)-2-[[(1R,6aR,7S,10S,13S,16S,19S,22S,25S,31S,34R,40S,46S,52S,55S,58R,63R,66S,69S,72S,78S,81S,84R,87S,93S,96S,99S)-63-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-19,55,69-tris(4-aminobutyl)-22-(3-amino-3-oxopropyl)-99-benzyl-25,81-bis[(2S)-butan-2-yl]-10,13-bis(3-carbamimidamidopropyl)-31,52-bis[(1R)-1-hydroxyethyl]-72-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-87-(1H-imidazol-5-ylmethyl)-78-methyl-40,66-bis(2-methylpropyl)-a,2,8,8a,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,64,67,70,73,76,79,82,85,88,94,97-triacontaoxo-96-propan-2-yl-3a,4a,10a,11a,60,61-hexathia-1a,3,7a,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57,65,68,71,74,77,80,83,86,89,95,98-triacontazahexacyclo[56.43.7.434,84.03,7.042,46.089,93]dodecahectane-6a-carbonyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid |
| InChIKey | JJDUNZFWULIMFT-YIYXCTSTSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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)N1)C)CO)CCCCN)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)N6CCC[C@H]6C(=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)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)[C@@H](C)O)[C@@H](C)CC)CCC(=O)N)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H](NC2=O)CC9=CN=CN9)C(C)C)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)CCCCN)[C@@H](C)O)CC(C)C.C(=O)(C(F)(F)F)O |
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