Products 223465-14-3
CAS 223465-14-3 is the registry number for Ala0-Actagardine. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1R,4S,5S,8S,11S,12S,15R,21S,22S,25R,28S,33S,36S,41S,44S)-11-[[(3R,6S,9S,15S,18S)-18-[[(2S)-2-aminopropanoyl]amino]-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]-33,44-bis[(2S)-butan-2-yl]-41-(2-carboxyethyl)-4,12,22,28-tetramethyl-8-(2-methylpropyl)-7,10,16,19,23,27,30,32,35,38,40,43,46-tridecaoxo-36-propan-2-yl-3,13,23lambda4-trithia-6,9,17,20,26,29,31,34,37,39,42,45-dodecazatricyclo[19.9.8.85,15]hexatetracontane-25-carboxylic acid (CAS 223465-14-3) is a chemical compound with the molecular formula C84H129N21O25S4 and a molecular weight of 1961.3 g/mol. IUPAC name: (1R,4S,5S,8S,11S,12S,15R,21S,22S,25R,28S,33S,36S,41S,44S)-11-[[(3R,6S,9S,15S,18S)-18-[[(2S)-2-aminopropanoyl]amino]-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]-33,44-bis[(2S)-butan-2-yl]-41-(2-carboxyethyl)-4,12,22,28-tetramethyl-8-(2-methylpropyl)-7,10,16,19,23,27,30,32,35,38,40,43,46-tridecaoxo-36-propan-2-yl-3,13,23lambda4-trithia-6,9,17,20,26,29,31,34,37,39,42,45-dodecazatricyclo[19.9.8.85,15]hexatetracontane-25-carboxylic acid. InChIKey: CVPCASSPBZQNJQ-LHWHYGGTSA-N.
| Molecular formula | C84H129N21O25S4 |
|---|---|
| Molecular weight | 1961.3 g/mol |
| IUPAC name | (1R,4S,5S,8S,11S,12S,15R,21S,22S,25R,28S,33S,36S,41S,44S)-11-[[(3R,6S,9S,15S,18S)-18-[[(2S)-2-aminopropanoyl]amino]-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]-33,44-bis[(2S)-butan-2-yl]-41-(2-carboxyethyl)-4,12,22,28-tetramethyl-8-(2-methylpropyl)-7,10,16,19,23,27,30,32,35,38,40,43,46-tridecaoxo-36-propan-2-yl-3,13,23lambda4-trithia-6,9,17,20,26,29,31,34,37,39,42,45-dodecazatricyclo[19.9.8.85,15]hexatetracontane-25-carboxylic acid |
| InChIKey | CVPCASSPBZQNJQ-LHWHYGGTSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CS[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](SC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CS(=O)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)[C@@H](C)CC)C(C)C)NC(=O)CNC2=O)C)C(=O)O)C)C)C(=O)N1)CC(C)C)NC(=O)[C@@H]4CSC[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N4)C(C)C)CC5=CNC6=CC=CC=C65)CO)NC(=O)[C@H](C)N)C)CCC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3024194