CAS 188240-41-7 is the registry number for Maurotoxin. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(1R,4S,7S,13S,16R,19S,22S,25S,28S,34R,40S,43S,46S,49S,52R,57R,60S,66S,69S,72S,79R,82S,85S,88S,91S)-22,49,69,85-tetrakis(4-aminobutyl)-79-[[(2S)-6-amino-1-[[(4R,10S,13R)-4-carbamoyl-10-[(4-hydroxyphenyl)methyl]-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-13-yl]amino]-1-oxohexan-2-yl]carbamoyl]-57-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-43,88-bis(2-amino-2-oxoethyl)-25-(3-amino-3-oxopropyl)-91-[(2S)-butan-2-yl]-19-(3-carbamimidamidopropyl)-28,60-bis[(1R)-1-hydroxyethyl]-66,82-bis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-7,46-dimethyl-2,5,8,14,17,20,23,26,29,32,35,41,44,47,50,58,61,64,67,70,73,81,84,87,90,93-hexacosaoxo-54,55,76,77,95,96-hexathia-3,6,9,15,18,21,24,27,30,33,36,42,45,48,51,59,62,65,68,71,74,80,83,86,89,92-hexacosazapentacyclo[50.22.19.416,34.09,13.036,40]heptanonacontan-72-yl]acetic acid (CAS 188240-41-7) is a chemical compound with the molecular formula C145H232N46O46S8 and a molecular weight of 3612.2 g/mol. IUPAC name: 2-[(1R,4S,7S,13S,16R,19S,22S,25S,28S,34R,40S,43S,46S,49S,52R,57R,60S,66S,69S,72S,79R,82S,85S,88S,91S)-22,49,69,85-tetrakis(4-aminobutyl)-79-[[(2S)-6-amino-1-[[(4R,10S,13R)-4-carbamoyl-10-[(4-hydroxyphenyl)methyl]-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-13-yl]amino]-1-oxohexan-2-yl]carbamoyl]-57-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-43,88-bis(2-amino-2-oxoethyl)-25-(3-amino-3-oxopropyl)-91-[(2S)-butan-2-yl]-19-(3-carbamimidamidopropyl)-28,60-bis[(1R)-1-hydroxyethyl]-66,82-bis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-7,46-dimethyl-2,5,8,14,17,20,23,26,29,32,35,41,44,47,50,58,61,64,67,70,73,81,84,87,90,93-hexacosaoxo-54,55,76,77,95,96-hexathia-3,6,9,15,18,21,24,27,30,33,36,42,45,48,51,59,62,65,68,71,74,80,83,86,89,92-hexacosazapentacyclo[50.22.19.416,34.09,13.036,40]heptanonacontan-72-yl]acetic acid. InChIKey: HOKAAYHRQKGQGK-ZKLBYYSCSA-N.
| Molecular formula | C145H232N46O46S8 |
|---|---|
| Molecular weight | 3612.2 g/mol |
| IUPAC name | 2-[(1R,4S,7S,13S,16R,19S,22S,25S,28S,34R,40S,43S,46S,49S,52R,57R,60S,66S,69S,72S,79R,82S,85S,88S,91S)-22,49,69,85-tetrakis(4-aminobutyl)-79-[[(2S)-6-amino-1-[[(4R,10S,13R)-4-carbamoyl-10-[(4-hydroxyphenyl)methyl]-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-13-yl]amino]-1-oxohexan-2-yl]carbamoyl]-57-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-43,88-bis(2-amino-2-oxoethyl)-25-(3-amino-3-oxopropyl)-91-[(2S)-butan-2-yl]-19-(3-carbamimidamidopropyl)-28,60-bis[(1R)-1-hydroxyethyl]-66,82-bis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-7,46-dimethyl-2,5,8,14,17,20,23,26,29,32,35,41,44,47,50,58,61,64,67,70,73,81,84,87,90,93-hexacosaoxo-54,55,76,77,95,96-hexathia-3,6,9,15,18,21,24,27,30,33,36,42,45,48,51,59,62,65,68,71,74,80,83,86,89,92-hexacosazapentacyclo[50.22.19.416,34.09,13.036,40]heptanonacontan-72-yl]acetic acid |
| InChIKey | HOKAAYHRQKGQGK-ZKLBYYSCSA-N |
| 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](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H]4CSSC[C@@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)O)CCCCN)CO)[C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)C)CC(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCNC(=N)N)CCCCN)CCC(=O)N)[C@@H](C)O)C)CC6=CC=C(C=C6)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]7CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC7=O)CC8=CC=C(C=C8)O)C(=O)N)CO)CCCCN)CC(=O)N |
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