Chem
J-GLOBAL ID:200907016523940060   Nikkaji number:J2.023.814C

4-[[(2S)-2-[[(2R)-2-[[(1R,2R)-2-(tert-Butyloxycarbonylamino)cyclopropyl]oxy]propanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid benzyl ester

ベンジル 4-[(2S)-2-[(2R)-2-[(1R,2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}シクロプロポキシ]プロパンアミド]プロパンアミド]-4-カルバモイルブタノアート
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: C26H38N4O8
Molecular formula furigana: C26-H38-N4-O8
Molecular weight: 534.610
InChI: InChI=1S/C26H38N4O8/c1-15(28-24(34)16(2)37-20-13-19(20)30-25(35)38-26(3,4)5)23(33)29-18(22(27)32)11-12-21(31)36-14-17-9-7-6-8-10-17/h6-10,15-16,18-20H,11-14H2,1-5H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t15-,16+,18?,19+,20+/m0/s1
InChI key: DFQZYUSYLILPAZ-QJAGQQKUSA-N
SMILES: C[C@H](NC(=O)[C@@H](C)O[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(=O)N
Systematic name  (3):
  • 4-[[(2S)-2-[[(2R)-2-[[(1R,2R)-2-(tert-ブチルオキシカルボニルアミノ)シクロプロピル]オキシ]プロパノイル]アミノ]プロパノイル]アミノ]-5-アミノ-5-オキソペンタン酸ベンジル
  • ベンジル 4-[(2S)-2-[(2R)-2-[(1R,2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}シクロプロポキシ]プロパンアミド]プロパンアミド]-4-カルバモイルブタノアート
  • benzyl 4-[(2S)-2-[(2R)-2-[(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopropoxy]propanamido]propanamido]-4-carbamoylbutanoate
Other name (1):
  • 4-[[(2S)-2-[[(2R)-2-[[(1R,2R)-2-(tert-Butyloxycarbonylamino)cyclopropyl]oxy]propanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid benzyl ester
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