Account (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
- Catalog No. :
- ACGJDJ229
- CAS No. :
- 130143-01-0
- Molecular Formula :
- C74H100ClN17O18
- Molecular Weight :
- 1551.17
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD00884467 |
| Molecular Formula | C74H100ClN17O18 |
| Molecular Weight | 1551.17 |
| SMILES | CC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H](CC1=CC=C(Cl)C=C1)C(=O)N[C@H](CC1=CN=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O.CC(=O)O |
| InChI Key | DTPVYWHLQLAXFT-SMCUOGPFSA-N |
| Synonym | N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide diacetate;Cetrorenlin Acetate;Cetrelix Acetate;Cetrorelix Diacetate;Cetrorelix AcetateQ: What is Cetrorelix Acetate Q: What is the CAS Number of Cetrorelix Acetate;NS-75A diacetate;SB-075 diacetate;(S)-N-((R)-1-Amino-1-oxopropan-2-yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-chlorobenzyl)-2-(3-guanidinopropyl)-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-octaazahexacosan-1-oyl)pyrrolidine-2-carboxamide diacetate |
| CAS No. | 130143-01-0 |
| PubChem CID | 87949193 |
Synthetic Route by SureRoute
2. ACGJDJ229 Molecular Building Block Synthetic Route
(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
(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
Ozarelix