Account Ilatreotide
- Catalog No. :
- ACQIXE450
- CAS No. :
- 119719-11-8
- Molecular Formula :
- C61H86N10O20S2
- Molecular Weight :
- 1343.54
IUPAC Name:(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-19-((R)-3-phenyl-2-((((2R,3S,4R,5R)-2,3,5-trihydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl)amino)propanamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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Product Information
| Product Name | Ilatreotide |
|---|---|
| IUPAC Name | (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-19-((R)-3-phenyl-2-((((2R,3S,4R,5R)-2,3,5-trihydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl)amino)propanamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Molecular Formula | C61H86N10O20S2 |
| Molecular Weight | 1343.54 |
| SMILES | O=C([C@@H](NC([C@H]([C@H](O)C)NC([C@H](CCCCN)NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CC=CC=C3)N4)=O)=O)=O)=O)CSSC[C@H](NC([C@H](NC[C@]5(O)[C@@H](O)[C@H](O[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)CO5)CC7=CC=CC=C7)=O)C4=O)N[C@@H]([C@H](O)C)CO |
| InChI Key | FYSDQQZUTAKKQX-CULBQIHKSA-N |
| Synonym | SDZ CO 611;L-Cysteinamide, N-(1-deoxy-4-O-α-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2→7)-disulfide (9CI) |
| CAS No. | 119719-11-8 |
Synthetic Route by SureRoute
2. ACQIXE450 Molecular Building Block Synthetic Route
13-((1H-indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide diacetate
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-7-((R)-1-hydroxyethyl)-16-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
(4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-N-((S)-1,6-diamino-1-oxohexan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-19-((S)-pyrrolidine-2-carboxamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide