Account (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
- Catalog No. :
- ACENWC521
- CAS No. :
- 485803-62-1
- Molecular Formula :
- C47H68N12O9S2
- Molecular Weight :
- 1009.27
IUPAC Name:(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
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10mg97%$351.00Login to see priceIn stockInquiry
25mg97%$666.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD11045146 |
| Molecular Formula | C47H68N12O9S2 |
| Molecular Weight | 1009.27 |
| 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]5NCCC5)=O)C4=O)N[C@@H](CCCCN)C(N)=O |
| InChI Key | UHALUVNIZLPZSZ-BPBAYLLVSA-N |
| Synonym | CORTISTATIN-8;PCFwKTCK(Disulfide bridge 2 - 7);L-Lysinamide, L-prolyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide |
| CAS No. | 485803-62-1 |
Synthetic Route by SureRoute
2. ACENWC521 Molecular Building Block Synthetic Route
TLN-232
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