Chem
J-GLOBAL ID:201607011096180192   Nikkaji number:J3.520.975A

2-((αS)-p-Methoxy-α-(Boc-amino)benzyl)-1,3-dithiane-2-carboxylic acid benzyl ester

2-((αS)-p-メトキシ-α-(Boc-アミノ)ベンジル)-1,3-ジチアン-2-カルボン酸ベンジル
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: C25H31NO5S2
Molecular formula furigana: C25-H31-N-O5-S2
Molecular weight: 489.650
InChI: InChI=1S/C25H31NO5S2/c1-24(2,3)31-23(28)26-21(19-11-13-20(29-4)14-12-19)25(32-15-8-16-33-25)22(27)30-17-18-9-6-5-7-10-18/h5-7,9-14,21H,8,15-17H2,1-4H3,(H,26,28)/t21-/m0/s1
InChI key: DZWSTPGLMGMWKD-NRFANRHFSA-N
SMILES: COc1ccc(cc1)[C@H](NC(=O)OC(C)(C)C)C1(SCCCS1)C(=O)OCc1ccccc1
Systematic name  (4):
  • 2-((αS)-p-メトキシ-α-(Boc-アミノ)ベンジル)-1,3-ジチアン-2-カルボン酸ベンジル
  • 2-[(S)-α-[(tert-ブチルオキシカルボニル)アミノ]-4-メトキシベンジル]-1,3-ジチアン-2-カルボン酸ベンジル
  • ベンジル 2-[(S)-{[(tert-ブトキシ)カルボニル]アミノ}(4-メトキシフェニル)メチル]-1,3-ジチアン-2-カルボキシラート
  • benzyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(4-methoxyphenyl)methyl]-1,3-dithiane-2-carboxylate
Other name (2):
  • 2-((αS)-p-Methoxy-α-(Boc-amino)benzyl)-1,3-dithiane-2-carboxylic acid benzyl ester
  • 2-[(S)-α-[(tert-Butyloxycarbonyl)amino]-4-methoxybenzyl]-1,3-dithiane-2-carboxylic acid benzyl ester
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