Chem
J-GLOBAL ID：201207061009108089   Nikkaji number：J3.091.113J

(3S,4R)-3-Hydroxy-4-[[N-[(3S,4R)-3-hydroxy-4-[[N-(3-methylbutyryl)-Val-Val-]amino]-5,5,5-trifluoropentanoyl]-Ala-]amino]-5,5,5-trifluoropentanoic acid methyl ester

(3S,4R)-3-ヒドロキシ-4-[[N-[(3S,4R)-3-ヒドロキシ-4-[[N-(3-メチルブチリル)-Val-Val-]アミノ]-5,5,5-トリフルオロペンタノイル]-Ala-]アミノ]-5,5,5-トリフルオロペンタン酸メチル
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： C29H47F6N5O9
Molecular formula furigana： C29-H47-F6-N5-O9
Molecular weight： 723.711
InChI： InChI=1S/C29H47F6N5O9/c1-12(2)9-18(43)37-21(13(3)4)26(47)38-22(14(5)6)27(48)40-23(28(30,31)32)16(41)10-19(44)36-15(7)25(46)39-24(29(33,34)35)17(42)11-20(45)49-8/h12-17,21-24,41-42H,9-11H2,1-8H3,(H,36,44)(H,37,43)(H,38,47)(H,39,46)(H,40,48)/t15-,16-,17-,21-,22-,23+,24+/m0/s1
InChI key： DBMUWIXNLHQYDY-OCVHHRCCSA-N
SMILES： COC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • (3S,4R)-3-ヒドロキシ-4-[[N-[(3S,4R)-3-ヒドロキシ-4-[[N-(3-メチルブチリル)-Val-Val-]アミノ]-5,5,5-トリフルオロペンタノイル]-Ala-]アミノ]-5,5,5-トリフルオロペンタン酸メチル
  • メチル (3S,4R)-5,5,5-トリフルオロ-3-ヒドロキシ-4-[(2S)-2-[(3S,4R)-5,5,5-トリフルオロ-3-ヒドロキシ-4-[(2S)-3-メチル-2-[(2S)-3-メチル-2-(3-メチルブタンアミド)ブタンアミド]ブタンアミド]ペンタンアミド]プロパンアミド]ペンタノアート
  • methyl (3S,4R)-5,5,5-trifluoro-3-hydroxy-4-[(2S)-2-[(3S,4R)-5,5,5-trifluoro-3-hydroxy-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]pentanamido]propanamido]pentanoate
Other name (1)：
  • (3S,4R)-3-Hydroxy-4-[[N-[(3S,4R)-3-hydroxy-4-[[N-(3-methylbutyryl)-Val-Val-]amino]-5,5,5-trifluoropentanoyl]-Ala-]amino]-5,5,5-trifluoropentanoic acid methyl ester
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