Chem
J-GLOBAL ID:200907048159143565   Nikkaji number:J819.197B

N-Tetradecanoyl-O-[2-(N-dodecanoylglycylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl]-L-homoserine

N-テトラデカノイル-O-[2-(N-ドデカノイルグリシルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル]-L-ホモセリン
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: C44H77N3O13
Molecular formula furigana: C44-H77-N3-O13
Molecular weight: 856.108
InChI: InChI=1S/C44H77N3O13/c1-6-8-10-12-14-16-17-19-21-23-25-27-38(52)46-35(43(54)55)28-29-56-44-40(42(59-34(5)50)41(58-33(4)49)36(60-44)31-57-32(3)48)47-39(53)30-45-37(51)26-24-22-20-18-15-13-11-9-7-2/h35-36,40-42,44H,6-31H2,1-5H3,(H,45,51)(H,46,52)(H,47,53)(H,54,55)/t35-,36+,40+,41+,42+,44+/m0/s1
InChI key: FFFFDBGKQYKDMC-OYDQHPTISA-N
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CCO[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)CNC(=O)CCCCCCCCCCC)C(=O)O
Systematic name  (3):
  • N-テトラデカノイル-O-[2-(N-ドデカノイルグリシルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル]-L-ホモセリン
  • (2S)-4-{[(2R,3R,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-(2-ドデカンアミドアセトアミド)オキサン-2-イル]オキシ}-2-テトラデカンアミドブタン酸
  • (2S)-4-{[(2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-(2-dodecanamidoacetamido)oxan-2-yl]oxy}-2-tetradecanamidobutanoic acid
Other name (1):
  • N-Tetradecanoyl-O-[2-(N-dodecanoylglycylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl]-L-homoserine
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