Chem
J-GLOBAL ID：200907098368421332   Nikkaji number：J1.412.775E

(3S,4S)-3-(tert-Butoxycarbonylamino)-4-(tosylamino)-6-methylheptanoic acid methyl ester

(3S,4S)-3-(tert-ブトキシカルボニルアミノ)-4-(トシルアミノ)-6-メチルヘプタン酸メチル
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： C21H34N2O6S
Molecular formula furigana： C21-H34-N2-O6-S
Molecular weight： 442.570
InChI： InChI=1S/C21H34N2O6S/c1-14(2)12-18(23-30(26,27)16-10-8-15(3)9-11-16)17(13-19(24)28-7)22-20(25)29-21(4,5)6/h8-11,14,17-18,23H,12-13H2,1-7H3,(H,22,25)/t17-,18-/m0/s1
InChI key： VVUKMILDBLRLJW-ROUUACIJSA-N
SMILES： COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • (3S,4S)-3-(tert-ブトキシカルボニルアミノ)-4-(トシルアミノ)-6-メチルヘプタン酸メチル
  • メチル (3S,4S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-6-メチル-4-(4-メチルベンゼンスルホンアミド)ヘプタノアート
  • methyl (3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-6-methyl-4-(4-methylbenzenesulfonamido)heptanoate
Other name (1)：
  • (3S,4S)-3-(tert-Butoxycarbonylamino)-4-(tosylamino)-6-methylheptanoic acid methyl ester
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