Chem
J-GLOBAL ID：201707011681646447   Nikkaji number：J3.605.322D

(2S,3R)-2-(Boc-Amino)-3-(((2S,3S)-2-(2,2-dimethyl-3-oxo-4-(2-hydroxy-3-methylbutanoyloxy)-5-phenylpentanoyloxy)-3-methylpentanoyl)oxy)butyric acid

(2S,3R)-2-(Boc-アミノ)-3-(((2S,3S)-2-(2,2-ジメチル-3-オキソ-4-(2-ヒドロキシ-3-メチルブタノイルオキシ)-5-フェニルペンタノイルオキシ)-3-メチルペンタノイル)オキシ)酪酸
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： C33H49NO12
Molecular formula furigana： C33-H49-N-O12
Molecular weight： 651.750
InChI： InChI=1S/C33H49NO12/c1-11-19(4)25(29(40)43-20(5)23(27(37)38)34-31(42)46-32(6,7)8)45-30(41)33(9,10)26(36)22(17-21-15-13-12-14-16-21)44-28(39)24(35)18(2)3/h12-16,18-20,22-25,35H,11,17H2,1-10H3,(H,34,42)(H,37,38)/t19-,20+,22?,23-,24?,25-/m0/s1
InChI key： GUKGSFJCNNIHPE-HUCPPDBESA-N
SMILES： CC[C@H](C)[C@H](OC(=O)C(C)(C)C(=O)C(Cc1ccccc1)OC(=O)C(O)C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
Systematic name  (3)：
  • (2S,3R)-2-(Boc-アミノ)-3-(((2S,3S)-2-(2,2-ジメチル-3-オキソ-4-(2-ヒドロキシ-3-メチルブタノイルオキシ)-5-フェニルペンタノイルオキシ)-3-メチルペンタノイル)オキシ)酪酸
  • (2S,3R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-{[(2S,3S)-2-({4-[(2-ヒドロキシ-3-メチルブタノイル)オキシ]-2,2-ジメチル-3-オキソ-5-フェニルペンタノイル}オキシ)-3-メチルペンタノイル]オキシ}ブタン酸
  • (2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-{[(2S,3S)-2-({4-[(2-hydroxy-3-methylbutanoyl)oxy]-2,2-dimethyl-3-oxo-5-phenylpentanoyl}oxy)-3-methylpentanoyl]oxy}butanoic acid
Other name (1)：
  • (2S,3R)-2-(Boc-Amino)-3-(((2S,3S)-2-(2,2-dimethyl-3-oxo-4-(2-hydroxy-3-methylbutanoyloxy)-5-phenylpentanoyloxy)-3-methylpentanoyl)oxy)butyric acid
Thsaurus map：
Thesaurus Map

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