Account (5S,8S,14S,17S,20S,23S)-23-((S)-6-amino-2-((S)-3-hydroxy-2-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)hexanamido)-17-benzyl-14-((S)-sec-butyl)-5-carbamoyl-8-isobutyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACODGF526
- CAS No. :
- 10129-92-7
- Molecular Formula :
- C56H86F3N13O17S
- Molecular Weight :
- 1302.44
IUPAC Name:(5S,8S,14S,17S,20S,23S)-23-((S)-6-amino-2-((S)-3-hydroxy-2-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)hexanamido)-17-benzyl-14-((S)-sec-butyl)-5-carbamoyl-8-isobutyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (5S,8S,14S,17S,20S,23S)-23-((S)-6-amino-2-((S)-3-hydroxy-2-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)hexanamido)-17-benzyl-14-((S)-sec-butyl)-5-carbamoyl-8-isobutyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (5S,8S,14S,17S,20S,23S)-23-((S)-6-amino-2-((S)-3-hydroxy-2-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)hexanamido)-17-benzyl-14-((S)-sec-butyl)-5-carbamoyl-8-isobutyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C56H86F3N13O17S |
| Molecular Weight | 1302.44 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O.O=C(O)C(F)(F)F |
| InChI Key | LOHDZRQROMPBGG-JSMOHVFGSA-N |
| Synonym | Eledoisin trifluoroacetate (69-25-0 free base);Eledoisin trifluoroacetate (69250 free base),Eledoisin trifluoroacetate (69 25 0 free base) |
| CAS No. | 10129-92-7 |
Synthetic Route by SureRoute
2. ACODGF526 Molecular Building Block Synthetic Route
23-(6-amino-2-(3-hydroxy-2-(1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)hexanamido)-17-benzyl-14-(sec-butyl)-5-carbamoyl-8-isobutyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid
L-seryl-L-aspartyl-L-lysyl-L-prolyl-L-aspartyl-L-methionyl-L-alanyl-L-glutamyl-L-isoleucyl-L-glutamyl-L-lysyl-L-phenylalanyl-L-aspartyl-L-lysyl-L-seryl-L-lysine
(5S,8S,11S,14S,17S,20S,23R)-5-((S)-1-((S)-2-((R)-2-Aminopropanamido)-3-hydroxypropanoyl)pyrrolidine-2-carboxamido)-20-(carboxymethyl)-17-(4-hydroxybenzyl)-8-isobutyl-11-isopropyl-14,23-dimethyl-6,9,12,15,18,21-hexaoxo-2-thia-7,10,13,16,19,22-hexaazatetracosan-24-oic acid