Account TLN-232
- Catalog No. :
- ACRDTB964
- CAS No. :
- 158899-10-6
- Molecular Formula :
- C36H49N9O7S2
- Molecular Weight :
- 783.98
IUPAC Name:(4R,7S,10R,13R)-10-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-13-((R)-2-amino-3-phenylpropanamido)-7-(4-aminobutyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamide
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Product Information
| Product Name | TLN-232 |
|---|---|
| IUPAC Name | (4R,7S,10R,13R)-10-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-13-((R)-2-amino-3-phenylpropanamido)-7-(4-aminobutyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamide |
| Molecular Formula | C36H49N9O7S2 |
| Molecular Weight | 783.98 |
| SMILES | O=C([C@@H](NC([C@H](CCCCN)NC([C@@H](CC1=CNC2=C1C=CC=C2)N3)=O)=O)CSSC[C@H](NC([C@H](N)CC4=CC=CC=C4)=O)C3=O)N[C@@H]([C@H](O)C)C(N)=O |
| InChI Key | XBCFQAGFOXLGBK-OYNNYJHJSA-N |
| Synonym | TLN-232;L-Threoninamide, D-phenylalanyl-L-cysteinyl-D-tryptophyl-L-lysyl-L-cysteinyl-, cyclic (2→5)-disulfide (9CI) |
| CAS No. | 158899-10-6 |
Synthetic Route by SureRoute
2. ACRDTB964 Molecular Building Block Synthetic Route
(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
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
BIM-23190