Chem
J-GLOBAL ID:200907051262597460   Nikkaji number:J487.361K

(2S)-3β-[[(S)-3-Methyl-1-[(3-methylbutyl)aminocarbonyl]butyl]aminocarbonyl]oxirane-2α-carboxylic acid 2-fluoroethyl ester

(2S)-3β-[[(S)-3-メチル-1-[(3-メチルブチル)アミノカルボニル]ブチル]アミノカルボニル]オキシラン-2α-カルボン酸2-フルオロエチル
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: C17H29FN2O5
Molecular formula furigana: C17-H29-F-N2-O5
Molecular weight: 360.426
InChI: InChI=1S/C17H29FN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
InChI key: GDQZBSIOBPOICN-IHRRRGAJSA-N
SMILES: CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCF
Systematic name  (3):
  • (2S)-3β-[[(S)-3-メチル-1-[(3-メチルブチル)アミノカルボニル]ブチル]アミノカルボニル]オキシラン-2α-カルボン酸2-フルオロエチル
  • 2-フルオロエチル (2S,3S)-3-{[(1S)-3-メチル-1-[(3-メチルブチル)カルバモイル]ブチル]カルバモイル}オキシラン-2-カルボキシラート
  • 2-fluoroethyl (2S,3S)-3-{[(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl]carbamoyl}oxirane-2-carboxylate
Other name (1):
  • (2S)-3β-[[(S)-3-Methyl-1-[(3-methylbutyl)aminocarbonyl]butyl]aminocarbonyl]oxirane-2α-carboxylic acid 2-fluoroethyl ester
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