Chem
J-GLOBAL ID：200907096072532519   Nikkaji number：J1.840.847C

N-[N-[(Dimethylbutylaminio)carbonyl]-L-alanyl]-L-alanine hexadecyl ester

N-[N-[(ジメチルブチルアミニオ)カルボニル]-L-アラニル]-L-アラニンヘキサデシル
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： C29H58N2[N+]O4
Molecular formula furigana： C29-H58-N3-O4
Molecular weight： 512.799
InChI： InChI=1S/C29H57N3O4/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-36-28(34)26(4)30-27(33)25(3)31-29(35)32(5,6)23-10-8-2/h25-26H,7-24H2,1-6H3,(H-,30,31,33,35)/p+1/t25-,26-/m0/s1
InChI key： ZMSZRHXJQPIFBW-UIOOFZCWSA-O
SMILES： CCCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[N+](C)(C)CCCC
Systematic name  (3)：
  • N-[N-[(ジメチルブチルアミニオ)カルボニル]-L-アラニル]-L-アラニンヘキサデシル
  • ブチル({[(1S)-1-{[(2S)-1-(ヘキサデシルオキシ)-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル})ジメチルアザニウム
  • butyl({[(1S)-1-{[(2S)-1-(hexadecyloxy)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl})dimethylazanium
Other name (1)：
  • N-[N-[(Dimethylbutylaminio)carbonyl]-L-alanyl]-L-alanine hexadecyl ester
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