Chem
J-GLOBAL ID:201207082985319806   Nikkaji number:J3.084.792J

(2S)-2-[[(2S)-2-(tert-Butylsulfinylamino)-2-(cubane-1-yl)acetyl]amino]-4-methylpentanoic acid methyl ester

(2S)-2-[[(2S)-2-(tert-ブチルスルフィニルアミノ)-2-(クバン-1-イル)アセチル]アミノ]-4-メチルペンタン酸メチル
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: C21H32N2O4S
Molecular formula furigana: C21-H32-N2-O4-S
Molecular weight: 408.560
InChI: InChI=1S/C21H32N2O4S/c1-8(2)7-9(19(25)27-6)22-18(24)17(23-28(26)20(3,4)5)21-14-11-10-12(14)16(21)13(10)15(11)21/h8-17,23H,7H2,1-6H3,(H,22,24)/t9-,10?,11?,12?,13?,14?,15?,16?,17+,21?,28?/m0/s1
InChI key: ZFZTVSDGXUSBIX-NFIRXDAUSA-N
SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)C(C)(C)C)C12C3C4C5C3C1C5C24
Systematic name  (3):
  • (2S)-2-[[(2S)-2-(tert-ブチルスルフィニルアミノ)-2-(クバン-1-イル)アセチル]アミノ]-4-メチルペンタン酸メチル
  • メチル (2S)-2-[(2S)-2-(キュバン-1-イル)-2-[(2-メチルプロパン-2-スルフィニル)アミノ]アセトアミド]-4-メチルペンタノアート
  • methyl (2S)-2-[(2S)-2-(cuban-1-yl)-2-[(2-methylpropane-2-sulfinyl)amino]acetamido]-4-methylpentanoate
Other name (1):
  • (2S)-2-[[(2S)-2-(tert-Butylsulfinylamino)-2-(cubane-1-yl)acetyl]amino]-4-methylpentanoic acid methyl ester
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