Account Cyclomarin A
- Catalog No. :
- ACUBXH395
- CAS No. :
- 169062-92-4
- Molecular Formula :
- C56H82N8O11
- Molecular Weight :
- 1043.32
IUPAC Name:(3S,6S,9S,12S,15S,18S,21S)-3-((R)-hydroxy(1-(2-((R)-oxiran-2-yl)propan-2-yl)-1H-indol-3-yl)methyl)-21-((R)-3-hydroxy-2-methylpropyl)-9-isobutyl-12-isopropyl-15-((R)-methoxy(phenyl)methyl)-1,10,18-trimethyl-6-((R)-4-methylpent-3-en-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptaone
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Product Information
| Product Name | Cyclomarin A |
|---|---|
| IUPAC Name | (3S,6S,9S,12S,15S,18S,21S)-3-((R)-hydroxy(1-(2-((R)-oxiran-2-yl)propan-2-yl)-1H-indol-3-yl)methyl)-21-((R)-3-hydroxy-2-methylpropyl)-9-isobutyl-12-isopropyl-15-((R)-methoxy(phenyl)methyl)-1,10,18-trimethyl-6-((R)-4-methylpent-3-en-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptaone |
| Molecular Formula | C56H82N8O11 |
| Molecular Weight | 1043.32 |
| SMILES | O=C([C@H]([C@H](O)C1=CN(C(C)([C@H]2OC2)C)C3=C1C=CC=C3)NC([C@H]([C@@H](C=C(C)C)C)NC([C@H](CC(C)C)N(C)C([C@H](C(C)C)NC([C@H]([C@H](OC)C4=CC=CC=C4)NC([C@H](C)N5)=O)=O)=O)=O)=O)N(C)[C@@H](C[C@@H](C)CO)C5=O |
| InChI Key | WCNJVJCYRBJSLC-BCJYPDSRSA-N |
| Synonym | Cyclomarin A;Cyclo[L-alanyl-(βR)-β-methoxy-L-phenylalanyl-L-valyl-N-methyl-L-leucyl-(3R)-4,5-didehydro-3,5-dimethyl-L-norleucyl-(βR)-β-hydroxy-1-[1-methyl-1-(2R)-2-oxiranylethyl]-L-tryptophyl-(4R)-5-hydroxy-N-methyl-L-leucyl] |
| CAS No. | 169062-92-4 |
Synthetic Route by SureRoute
2. ACUBXH395 Molecular Building Block Synthetic Route
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid compound with acetic acid (1:1)
Enlicitide chloride