Chem
J-GLOBAL ID：200907097215449487   Nikkaji number：J1.569.072K

(2S,3R)-2-(tert-Butoxycarbonylamino)-3-(tosylamino)-5-methylhexanoic acid methyl ester

(2S,3R)-2-(tert-ブトキシカルボニルアミノ)-3-(トシルアミノ)-5-メチルヘキサン酸メチル
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： C20H32N2O6S
Molecular formula furigana： C20-H32-N2-O6-S
Molecular weight： 428.540
InChI： InChI=1S/C20H32N2O6S/c1-13(2)12-16(22-29(25,26)15-10-8-14(3)9-11-15)17(18(23)27-7)21-19(24)28-20(4,5)6/h8-11,13,16-17,22H,12H2,1-7H3,(H,21,24)/t16-,17+/m1/s1
InChI key： LQBIKSAPAOAWMF-SJORKVTESA-N
SMILES： COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • (2S,3R)-2-(tert-ブトキシカルボニルアミノ)-3-(トシルアミノ)-5-メチルヘキサン酸メチル
  • メチル (2S,3R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-5-メチル-3-(4-メチルベンゼンスルホンアミド)ヘキサノアート
  • methyl (2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-5-methyl-3-(4-methylbenzenesulfonamido)hexanoate
Other name (1)：
  • (2S,3R)-2-(tert-Butoxycarbonylamino)-3-(tosylamino)-5-methylhexanoic acid methyl ester
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