Chem
J-GLOBAL ID:200907055482624056   Nikkaji number:J1.085.843G

(S)-2-[[N-(11-Bromoundecanoyl)-L-Ala-L-Ala-]amino]-4-(dodecyloxycarbonyl)butyric acid dodecyl ester

(S)-2-[[N-(11-ブロモウンデカノイル)-L-Ala-L-Ala-]アミノ]-4-(ドデシルオキシカルボニル)酪酸ドデシル
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: C46H86BrN3O7
Molecular formula furigana: C46-H86-BR-N3-O7
Molecular weight: 873.112
InChI: InChI=1S/C46H86BrN3O7/c1-5-7-9-11-13-15-19-23-27-31-37-56-43(52)35-34-41(46(55)57-38-32-28-24-20-16-14-12-10-8-6-2)50-45(54)40(4)49-44(53)39(3)48-42(51)33-29-25-21-17-18-22-26-30-36-47/h39-41H,5-38H2,1-4H3,(H,48,51)(H,49,53)(H,50,54)/t39-,40-,41-/m0/s1
InChI key: KPSPUDZZOHSZLK-YKXUKSTASA-N
SMILES: CCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCCCCCCCBr)C(=O)OCCCCCCCCCCCC
Systematic name  (3):
  • (S)-2-[[N-(11-ブロモウンデカノイル)-L-Ala-L-Ala-]アミノ]-4-(ドデシルオキシカルボニル)酪酸ドデシル
  • 1,5-ジドデシル (2S)-2-[(2S)-2-[(2S)-2-(11-ブロモウンデカンアミド)プロパンアミド]プロパンアミド]ペンタンジオアート
  • 1,5-didodecyl (2S)-2-[(2S)-2-[(2S)-2-(11-bromoundecanamido)propanamido]propanamido]pentanedioate
Other name (1):
  • (S)-2-[[N-(11-Bromoundecanoyl)-L-Ala-L-Ala-]amino]-4-(dodecyloxycarbonyl)butyric acid dodecyl ester
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