Chem
J-GLOBAL ID:200907018083670734   Nikkaji number:J2.464.143K

(2S,3S)-2-(4-Methoxybenzylamino)-3-[[(R)-2-(tert-butoxycarbonylamino)-2-(tert-butoxycarbonyl)ethyl]thio]butyric acid methyl ester

(2S,3S)-2-(4-メトキシベンジルアミノ)-3-[[(R)-2-(tert-ブトキシカルボニルアミノ)-2-(tert-ブトキシカルボニル)エチル]チオ]酪酸メチル
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: C25H40N2O7S
Molecular formula furigana: C25-H40-N2-O7-S
Molecular weight: 512.659
InChI: InChI=1S/C25H40N2O7S/c1-16(20(22(29)32-9)26-14-17-10-12-18(31-8)13-11-17)35-15-19(21(28)33-24(2,3)4)27-23(30)34-25(5,6)7/h10-13,16,19-20,26H,14-15H2,1-9H3,(H,27,30)/t16-,19-,20+/m0/s1
InChI key: QDZHLPKKMFSNPR-FFZOFVMBSA-N
SMILES: COC(=O)[C@H](NCc1ccc(OC)cc1)[C@H](C)SC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Systematic name  (3):
  • (2S,3S)-2-(4-メトキシベンジルアミノ)-3-[[(R)-2-(tert-ブトキシカルボニルアミノ)-2-(tert-ブトキシカルボニル)エチル]チオ]酪酸メチル
  • メチル (2S,3S)-3-{[(2R)-3-(tert-ブトキシ)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-オキソプロピル]スルファニル}-2-{[(4-メトキシフェニル)メチル]アミノ}ブタノアート
  • methyl (2S,3S)-3-{[(2R)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-3-oxopropyl]sulfanyl}-2-{[(4-methoxyphenyl)methyl]amino}butanoate
Other name (1):
  • (2S,3S)-2-(4-Methoxybenzylamino)-3-[[(R)-2-(tert-butoxycarbonylamino)-2-(tert-butoxycarbonyl)ethyl]thio]butyric acid methyl ester
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