Name | Degarelix acetate |
Iupac Chemical Name | (S)-N-(4-((2S,5S,8R,11R,14R)-2-(((R)-1-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-(4-ureidophenyl)propan-2-yl)carbamoyl)-11-(4-chlorobenzyl)-5-(hydroxymethyl)-14-(naphthalen-2-ylmethyl)-4,7,10,13,16-pentaoxo-8-(pyridin-3-ylmethyl)-3,6,9,12,15-pentaazaheptadecyl)phenyl)-2,6-dioxohexahydropyrimidine-4-carboxamide. |
Synonyms | FE200486; FE-200486; FE 200486; ASP3550; ASP-3550; ASP 3550. |
Molecular Formula | C84H107ClN18O18 |
Molecular Weight | 1692.31 |
Smile | O=C([C@H](CC(N1)=O)NC1=O)NC2=CC=C(C[C@@H](C(N[C@H](CC3=CC=C(NC(N)=O)C=C3)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCNC(C)C)C(N4[C@H](C(N[C@H](C)C(N)=O)=O)CCC4)=O)=O)=O)=O)NC([C@H](CO)NC([C@@H](CC5=CC=CN=C5)NC([C@@H](CC6=CC=C(Cl)C=C6)NC([C@@H](CC7=CC=C8C=CC=CC8=C7)NC(C)=O)=O)=O)=O)=O)C=C2.CC(O)=O |
InChiKey | AUTFSFUMNFDPLH-KYMMNHPFSA-N |
InChi | (S)-N-(4-((2S,5S,8R,11R,14R)-2-(((R)-1-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-(4-ureidophenyl)propan-2-yl)carbamoyl)-11-(4-chlorobenzyl)-5-(hydroxymethyl)-14-(naphthalen-2-ylmethyl)-4,7,10,13,16-pentaoxo-8-(pyridin-3-ylmethyl)-3,6,9,12,15-pentaazaheptadecyl)phenyl)-2,6-dioxohexahydropyrimidine-4-carboxamide acetate |
CAS Number | 934246-14-7 |
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