Account Cyn 154806 trifluoroacetate
- Catalog No. :
- ACGGBZ544
- CAS No. :
- 2828432-46-6
- Molecular Formula :
- C58H69F3N12O16S2
- Molecular Weight :
- 1311.39
IUPAC Name:(4R,7S,10S,13R,16S,19S)-13-((1H-indol-3-yl)methyl)-19-((S)-2-acetamido-3-(4-nitrophenyl)propanamido)-N-((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide 2,2,2-trifluoroacetate
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Product Information
| Product Name | Cyn 154806 trifluoroacetate |
|---|---|
| IUPAC Name | (4R,7S,10S,13R,16S,19S)-13-((1H-indol-3-yl)methyl)-19-((S)-2-acetamido-3-(4-nitrophenyl)propanamido)-N-((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide 2,2,2-trifluoroacetate |
| Molecular Formula | C58H69F3N12O16S2 |
| Molecular Weight | 1311.39 |
| SMILES | CC(=O)N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](CC2=CC=C(O)C=C2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.O=C(O)C(F)(F)F |
| InChI Key | FYVCFCQFOBEWIO-GVGJFGMUSA-N |
| Synonym | Cyn 154806 trifluoroacetate;(4R,7S,10S,13R,16S,19S)-13-((1H-Indol-3-yl)methyl)-19-((S)-2-acetamido-3-(4-nitrophenyl)propanamido)-N-((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide 2,2,2-trifluoroacetate |
| CAS No. | 2828432-46-6 |
Synthetic Route by SureRoute
2. ACGGBZ544 Molecular Building Block Synthetic Route
TT-232 TFA（147159-51-1 free base）
((4R,7S,16S)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine
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)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-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 compound with acetic acid (1:x)