Chem
J-GLOBAL ID：201707000124628051   Nikkaji number：J3.599.147F

Vestaine A1

ベスタインA1
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： C24H46N[N+]O3[O-]S
Molecular formula furigana： C24-H46-N2-O4-S
Molecular weight： 458.700
InChI： InChI=1S/C24H46N2O4S/c1-19(2)15-13-11-9-7-8-10-12-14-16-23(28)22(26(4,5)6)18-31-17-21(24(29)30)25-20(3)27/h19,21-22H,7-18H2,1-6H3,(H-,25,27,29,30)/t21-,22?/m0/s1
InChI key： ALZXMLCSQCORED-HMTLIYDFSA-N
SMILES： CC(C)CCCCCCCCCCC(=O)C(CSC[C@H](NC(=O)C)C(=O)[O-])[N+](C)(C)C
Systematic name  (3)：
  • (R)-2-(アセチルアミノ)-3-[2-(トリメチルアミニオ)-3-オキソ-14-メチルペンタデシルチオ]プロピオナート
  • (2R)-2-アセトアミド-3-{[14-メチル-3-オキソ-2-(トリメチルアザニウミル)ペンタデシル]スルファニル}プロパノアート
  • (2R)-2-acetamido-3-{[14-methyl-3-oxo-2-(trimethylazaniumyl)pentadecyl]sulfanyl}propanoate
Other name (3)：
  • (R)-2-(Acetylamino)-3-[2-(trimethylaminio)-3-oxo-14-methylpentadecylthio]propionate
  • ベスタインA1
  • Vestaine A1
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