Chem
J-GLOBAL ID:201207065531053303   Nikkaji number:J3.053.048I

N-[4-[[2-[2-(Acetylamino)-2-deoxy-β-D-galactopyranosyloxy]ethyl]amino]-4-oxobutyryl]-L-glutamic acid dihexadecyl ester

N-[4-[[2-[2-(アセチルアミノ)-2-デオキシ-β-D-ガラクトピラノシルオキシ]エチル]アミノ]-4-オキソブチリル]-L-グルタミン酸ジヘキサデシル
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: C51H95N3O12
Molecular formula furigana: C51-H95-N3-O12
Molecular weight: 942.330
InChI: InChI=1S/C51H95N3O12/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37-63-46(59)35-32-42(50(62)64-38-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)54-45(58)34-33-44(57)52-36-39-65-51-47(53-41(3)56)49(61)48(60)43(40-55)66-51/h42-43,47-49,51,55,60-61H,4-40H2,1-3H3,(H,52,57)(H,53,56)(H,54,58)/t42-,43+,47+,48-,49+,51+/m0/s1
InChI key: INCYREOHZQFAKP-MTYACSTISA-N
SMILES: CCCCCCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(=O)C)C(=O)OCCCCCCCCCCCCCCCC
Systematic name  (3):
  • N-[4-[[2-[2-(アセチルアミノ)-2-デオキシ-β-D-ガラクトピラノシルオキシ]エチル]アミノ]-4-オキソブチリル]-L-グルタミン酸ジヘキサデシル
  • 1,5-ジヘキサデシル (2S)-2-{3-[(2-{[(2R,3R,4R,5R,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エチル)カルバモイル]プロパンアミド}ペンタンジオアート
  • 1,5-dihexadecyl (2S)-2-{3-[(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)carbamoyl]propanamido}pentanedioate
Other name (1):
  • N-[4-[[2-[2-(Acetylamino)-2-deoxy-β-D-galactopyranosyloxy]ethyl]amino]-4-oxobutyryl]-L-glutamic acid dihexadecyl ester
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