CAS 2206692-95-5 is the registry number for Roseltide rT1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(1R,7S,13S,16S,19S,24R,27S,33S,36S,45S,48S,51S,54S,57S,60S,63S,69R,74R,77S,83S,86S)-24-amino-16-(2-amino-2-oxoethyl)-83-benzyl-27,45,77,86-tetrakis[(2S)-butan-2-yl]-36-(3-carbamimidamidopropyl)-13,63-bis(hydroxymethyl)-57-methyl-51,60-bis(2-methylpropyl)-3,6,12,15,18,25,28,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,93-pentacosaoxo-54-propan-2-yl-21,22,71,72,90,91-hexathia-2,5,11,14,17,26,29,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,94-pentacosazapentacyclo[46.40.4.219,69.07,11.029,33]tetranonacontane-74-carbonyl]amino]propanoic acid (CAS 2206692-95-5) is a chemical compound with the molecular formula C110H177N31O31S6 and a molecular weight of 2622.2 g/mol. IUPAC name: (2S)-2-[[(1R,7S,13S,16S,19S,24R,27S,33S,36S,45S,48S,51S,54S,57S,60S,63S,69R,74R,77S,83S,86S)-24-amino-16-(2-amino-2-oxoethyl)-83-benzyl-27,45,77,86-tetrakis[(2S)-butan-2-yl]-36-(3-carbamimidamidopropyl)-13,63-bis(hydroxymethyl)-57-methyl-51,60-bis(2-methylpropyl)-3,6,12,15,18,25,28,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,93-pentacosaoxo-54-propan-2-yl-21,22,71,72,90,91-hexathia-2,5,11,14,17,26,29,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,94-pentacosazapentacyclo[46.40.4.219,69.07,11.029,33]tetranonacontane-74-carbonyl]amino]propanoic acid. InChIKey: GLISJFAVPSLKHG-RKOWOQEZSA-N.
| Molecular formula | C110H177N31O31S6 |
|---|---|
| Molecular weight | 2622.2 g/mol |
| IUPAC name | (2S)-2-[[(1R,7S,13S,16S,19S,24R,27S,33S,36S,45S,48S,51S,54S,57S,60S,63S,69R,74R,77S,83S,86S)-24-amino-16-(2-amino-2-oxoethyl)-83-benzyl-27,45,77,86-tetrakis[(2S)-butan-2-yl]-36-(3-carbamimidamidopropyl)-13,63-bis(hydroxymethyl)-57-methyl-51,60-bis(2-methylpropyl)-3,6,12,15,18,25,28,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,93-pentacosaoxo-54-propan-2-yl-21,22,71,72,90,91-hexathia-2,5,11,14,17,26,29,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,94-pentacosazapentacyclo[46.40.4.219,69.07,11.029,33]tetranonacontane-74-carbonyl]amino]propanoic acid |
| InChIKey | GLISJFAVPSLKHG-RKOWOQEZSA-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)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1)CCCNC(=N)N)[C@@H](C)CC)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)NCC(=O)N3)CO)CC(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(C)C)C(C)C)C)CC(C)C)CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC)CC6=CC=CC=C6)[C@@H](C)CC |
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