CAS 2853605-24-8 is the registry number for cMCoFx1. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(1R,6aS,7S,10S,13S,19S,22S,25R,28S,31S,34S,37S,40S,43R,49S,55S,58R,61S,64R,67S,70S,73S,76S,79S,82R,88S,94S,97S)-79-benzyl-6a,13,61-tris[(2S)-butan-2-yl]-10,19,28,31,67,76-hexakis(3-carbamimidamidopropyl)-40,97-bis(carboxymethyl)-73-[(1R)-1-hydroxyethyl]-37,88-bis(hydroxymethyl)-94-[(4-hydroxyphenyl)methyl]-55,70-dimethyl-22-(2-methylpropyl)-1a,2,4a,7a,8,11,14,17,20,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-10a,11a,14a,15a,18a,19a-hexathia-2a,3,5a,8a,9,12,15,18,21,24,27,30,33,36,39,42,45,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tetratriacontazahexacyclo[56.50.4.425,64.443,82.03,7.045,49]icosahectan-34-yl]acetic acid (CAS 2853605-24-8) is a chemical compound with the molecular formula C146H232N52O44S6 and a molecular weight of 3612.1 g/mol. IUPAC name: 2-[(1R,6aS,7S,10S,13S,19S,22S,25R,28S,31S,34S,37S,40S,43R,49S,55S,58R,61S,64R,67S,70S,73S,76S,79S,82R,88S,94S,97S)-79-benzyl-6a,13,61-tris[(2S)-butan-2-yl]-10,19,28,31,67,76-hexakis(3-carbamimidamidopropyl)-40,97-bis(carboxymethyl)-73-[(1R)-1-hydroxyethyl]-37,88-bis(hydroxymethyl)-94-[(4-hydroxyphenyl)methyl]-55,70-dimethyl-22-(2-methylpropyl)-1a,2,4a,7a,8,11,14,17,20,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-10a,11a,14a,15a,18a,19a-hexathia-2a,3,5a,8a,9,12,15,18,21,24,27,30,33,36,39,42,45,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tetratriacontazahexacyclo[56.50.4.425,64.443,82.03,7.045,49]icosahectan-34-yl]acetic acid. InChIKey: RIJWOHFMKCDBCT-BAJQEGPHSA-N.
| Molecular formula | C146H232N52O44S6 |
|---|---|
| Molecular weight | 3612.1 g/mol |
| IUPAC name | 2-[(1R,6aS,7S,10S,13S,19S,22S,25R,28S,31S,34S,37S,40S,43R,49S,55S,58R,61S,64R,67S,70S,73S,76S,79S,82R,88S,94S,97S)-79-benzyl-6a,13,61-tris[(2S)-butan-2-yl]-10,19,28,31,67,76-hexakis(3-carbamimidamidopropyl)-40,97-bis(carboxymethyl)-73-[(1R)-1-hydroxyethyl]-37,88-bis(hydroxymethyl)-94-[(4-hydroxyphenyl)methyl]-55,70-dimethyl-22-(2-methylpropyl)-1a,2,4a,7a,8,11,14,17,20,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-10a,11a,14a,15a,18a,19a-hexathia-2a,3,5a,8a,9,12,15,18,21,24,27,30,33,36,39,42,45,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tetratriacontazahexacyclo[56.50.4.425,64.443,82.03,7.045,49]icosahectan-34-yl]acetic acid |
| InChIKey | RIJWOHFMKCDBCT-BAJQEGPHSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H]4CSSC[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](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1)CC(=O)O)CC5=CC=C(C=C5)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCNC(=N)N)C)[C@@H](C)O)CCCNC(=N)N)CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C(=O)NCC(=O)N[C@H](C(=O)N3)C)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C2=O)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N)CC(C)C)[C@@H](C)CC |
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