Account (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
- Catalog No. :
- ACVXQO947
- CAS No. :
- 103429-32-9
- Molecular Formula :
- C51H69N13O11S2
- Molecular Weight :
- 1104.33
IUPAC Name:(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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Product Information
| Product Name | (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-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)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Molecular Formula | C51H69N13O11S2 |
| Molecular Weight | 1104.33 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](NC(=O)[C@H](N)CC2=CC=CC=C2)CSSC1(C)C)C(N)=O |
| InChI Key | OFMQLVRLOGHAJI-FGHAYEPSSA-N |
| Synonym | H-D-PHE-CYS-TYR-D-TRP-ARG-THR-PEN-THR-NH2;D-PHE-CYS-TYR-D-TRP-ARG-THR-PEN-THR-NH2;CTAP;CYS2, TYR3, ARG5, PEN7-AMIDE;H-D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH2(Cys2-Pen7);CTAP, ≥95%;7)-disulfide;M.W. 1104.30 C51H69N13O11S2 |
| CAS No. | 103429-32-9 |
Synthetic Route by SureRoute
2. ACVXQO947 Molecular Building Block Synthetic Route
13-((1H-indol-3-yl)methyl)-19-(2-amino-3-(naphthalen-2-yl)propanamido)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide acetate
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BIM-23190