CAS 798569-33-2 is the registry number for HD5. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(1R,4S,7S,13S,16R,19S,22S,25S,28S,31S,34S,37S,43S,46R,49S,52S,55S,61S,64S,67S,70S,73S,76S,79R,84R,87S)-84-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-52-[(2S)-butan-2-yl]-4,13,25,61,70-pentakis(3-carbamimidamidopropyl)-28,49-bis(2-carboxyethyl)-7,22-bis[(1R)-1-hydroxyethyl]-31,37,55-tris(hydroxymethyl)-67,87-bis[(4-hydroxyphenyl)methyl]-19-methyl-34,64,73-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,85,88-octacosaoxo-43-propan-2-yl-81,82,91,92,95,96-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,86,89-octacosazatricyclo[44.43.4.416,76]heptanonacontane-79-carbonyl]amino]-5-carbamimidamidopentanoic acid (CAS 798569-33-2) is a chemical compound with the molecular formula C144H238N50O45S6 and a molecular weight of 3582.1 g/mol. IUPAC name: (2S)-2-[[(1R,4S,7S,13S,16R,19S,22S,25S,28S,31S,34S,37S,43S,46R,49S,52S,55S,61S,64S,67S,70S,73S,76S,79R,84R,87S)-84-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-52-[(2S)-butan-2-yl]-4,13,25,61,70-pentakis(3-carbamimidamidopropyl)-28,49-bis(2-carboxyethyl)-7,22-bis[(1R)-1-hydroxyethyl]-31,37,55-tris(hydroxymethyl)-67,87-bis[(4-hydroxyphenyl)methyl]-19-methyl-34,64,73-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,85,88-octacosaoxo-43-propan-2-yl-81,82,91,92,95,96-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,86,89-octacosazatricyclo[44.43.4.416,76]heptanonacontane-79-carbonyl]amino]-5-carbamimidamidopentanoic acid. InChIKey: XOGQESQUFLMQCZ-UHXYRTSUSA-N.
| Molecular formula | C144H238N50O45S6 |
|---|---|
| Molecular weight | 3582.1 g/mol |
| IUPAC name | (2S)-2-[[(1R,4S,7S,13S,16R,19S,22S,25S,28S,31S,34S,37S,43S,46R,49S,52S,55S,61S,64S,67S,70S,73S,76S,79R,84R,87S)-84-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-52-[(2S)-butan-2-yl]-4,13,25,61,70-pentakis(3-carbamimidamidopropyl)-28,49-bis(2-carboxyethyl)-7,22-bis[(1R)-1-hydroxyethyl]-31,37,55-tris(hydroxymethyl)-67,87-bis[(4-hydroxyphenyl)methyl]-19-methyl-34,64,73-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,85,88-octacosaoxo-43-propan-2-yl-81,82,91,92,95,96-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,86,89-octacosazatricyclo[44.43.4.416,76]heptanonacontane-79-carbonyl]amino]-5-carbamimidamidopentanoic acid |
| InChIKey | XOGQESQUFLMQCZ-UHXYRTSUSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=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]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](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CCCNC(=N)N)[C@@H](C)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N)CC4=CC=C(C=C4)O)C(=O)N[C@H](C(=O)N1)CCC(=O)O)C(C)C)CO)CC(C)C)CO)CCC(=O)O)CCCNC(=N)N)[C@@H](C)O)C)CC(C)C)CCCNC(=N)N)CC5=CC=C(C=C5)O)CC(C)C)CCCNC(=N)N)CO |
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