Chem
J-GLOBAL ID:200907006081066831   Nikkaji number:J34.701I

Goserelin

ゴセレリン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C59H84N18O14
Molecular formula furigana: C59-H84-N18-O14
Molecular weight: 1269.433
InChI: InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1
InChI key: BLCLNMBMMGCOAS-URPVMXJPSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N
Systematic name  (3):
  • 5-オキソ-L-Pro-L-His-L-Trp-L-Ser-L-Tyr-O-(1,1-ジメチルエチル)-D-Ser-L-Leu-L-Arg-L-Pro-ウレイド-NH2
  • (2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-ブトキシ)-2-[(2S)-2-[(2S)-3-ヒドロキシ-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]プロパンアミド]-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタノイル]-N-(カルバモイルアミノ)ピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butoxy)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoyl]-N-(carbamoylamino)pyrrolidine-2-carboxamide
Other name (6):
  • ゴセレリン
  • Goserelin
  • 5-Oxo-L-Pro-L-His-L-Trp-L-Ser-L-Tyr-O-(1,1-dimethylethyl)-D-Ser-L-Leu-L-Arg-L-Pro-ureido-NH2
  • デカペプチドI
  • Decapeptide I
Show all
CAS registry number: 65807-02-5
KEGG DRUG: D04405
Application (3):
antihormone ,  antitumor drug ,  delayed action preparation
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