CAS 339532-29-5 is the registry number for Kalata B7. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,58S,61S,64S,67R,70S,76S,79S,82R,85S,88S)-25-(4-aminobutyl)-19-(2-amino-2-oxoethyl)-58-(3-amino-3-oxopropyl)-31-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-49,61,70,79,85-pentakis[(1R)-1-hydroxyethyl]-43-(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-13,76-bis(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-4-propan-2-yl-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid (CAS 339532-29-5) is a chemical compound with the molecular formula C128H196N36O40S6 and a molecular weight of 3071.5 g/mol. IUPAC name: 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,58S,61S,64S,67R,70S,76S,79S,82R,85S,88S)-25-(4-aminobutyl)-19-(2-amino-2-oxoethyl)-58-(3-amino-3-oxopropyl)-31-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-49,61,70,79,85-pentakis[(1R)-1-hydroxyethyl]-43-(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-13,76-bis(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-4-propan-2-yl-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid. InChIKey: HEXLHXLWEPFWNN-MVENLILYSA-N.
| Molecular formula | C128H196N36O40S6 |
|---|---|
| Molecular weight | 3071.5 g/mol |
| IUPAC name | 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,58S,61S,64S,67R,70S,76S,79S,82R,85S,88S)-25-(4-aminobutyl)-19-(2-amino-2-oxoethyl)-58-(3-amino-3-oxopropyl)-31-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-49,61,70,79,85-pentakis[(1R)-1-hydroxyethyl]-43-(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-13,76-bis(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-4-propan-2-yl-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid |
| InChIKey | HEXLHXLWEPFWNN-MVENLILYSA-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](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]4CSSC[C@@H](C(=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)N5CCC[C@H]5C(=O)N1)CC6=CNC7=CC=CC=C76)CO)NC(=O)[C@@H](NC4=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)[C@@H](C)O)CC(C)C)[C@@H](C)O)[C@@H](C)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCCN)CCCNC(=N)N)CC(=O)N)CC(C)C)C(C)C)CCC(=O)N)[C@@H](C)O)CC9=CC=C(C=C9)O |
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