Account (S)-1-(N2-N2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanoyl)-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl)-N-((R)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide, acetate salt
- Catalog No. :
- ACIJWX589
- CAS No. :
- 123246-29-7
- Molecular Formula :
- C82H117ClN18O15
- Molecular Weight :
- 1630.40
IUPAC Name:(S)-1-(N2-N2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanoyl)-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl)-N-((R)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide, acetate salt
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Product Information
| Product Name | (S)-1-(N2-N2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanoyl)-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl)-N-((R)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide, acetate salt |
|---|---|
| IUPAC Name | (S)-1-(N2-N2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanoyl)-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl)-N-((R)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide, acetate salt |
| Molecular Formula | C82H117ClN18O15 |
| Molecular Weight | 1630.40 |
| SMILES | CC(=O)O.CCNC(=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN=C(NCC)NCC)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NCC |
| InChI Key | BNXQPWOTZJCGRG-FEGBTNLQSA-N |
| Synonym | Ac-DNal-DCpa-DPal-Ser-Tyr-DHar(Et2)-Leu-Har(Et2)-Pro-DAla -NH2;Ganirelixum;ganirelix Acetate;GANIRELIX;Ganirelix Acetate USP/EP/BP;Ganirelix Impurity 1;Ganirelix Acetate API;3-?bis[[3-?(3 |
| CAS No. | 123246-29-7 |
Synthetic Route by SureRoute
2. ACIJWX589 Molecular Building Block Synthetic Route
(S)-N-((R)-1-amino-1-oxopropan-2-yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-chlorobenzyl)-2-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-23-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(pyridin-3-ylmethyl)-8-(3-ureidopropyl)-3,6,9,12,15,18,21,24-octaazahexacosanoyl)pyrrolidine-2-carboxamide diacetate
(S)-1-(((R)-2-((S)-2-((S)-2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-5-ureidopentanoyl)-L-leucyl-L-arginyl)-N-((R)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
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