N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine

HCID 6364643CAS 71989-35-0

基本情報

標準SMILES: C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: LZOLWEQBVPVDPR-VLIAUNLRSA-N
分子式: C23H27NO5
平均分子量: 397.5 g/mol
単同位体質量: 397.18892296

名称と識別子

優先名称: N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine
IUPAC: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid

名称と別名

DTXSID501218229N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonineL-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-Threonine, O-(1,1-dimethylethyl)-N-((9H-fluoren-9-ylmethoxy)carbonyl)-RefChem:828293DTXCID501649545L-Threonine, O-(1,1-dimethylethyl)-N-(9H-fluoren-9-ylmethoxy)carbonyl-Fmoc-Thr(tBu)-OHFmoc-O-tert-butyl-L-threonineFmoc-Thr(t-Bu)-OHMFCD00077075(2S,3R)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid

名称をさらに表示

N-(9-Fluorenylmethoxycarbonyl)-O-tert-butyl-L-threonineFmoc-L-Thr(tBu)-OHN-(((9H-fluoren-9-yl)methoxy)carbonyl)-O-(tert-butyl)-L-threonine(2S,3R)-3-tert-Butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acidM03389(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid(2S,3R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acidFmoc-Thr(OtBu)-OH

データベース識別子

CAS: 71989-35-0
PubChem CID: 6364643
DTXSID: DTXSID501218229
UNII: XTY3TR2GB4
Nikkaji: J295.110J

物性

構造計算による物性

XLogP: 4
極性表面積: 84.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 29
形式電荷: 0
複雑度: 564

安全と法規制

危険有害性情報

Regulatory InformationL-Threonine, O-(1,1-dimethylethyl)-N-(9H-fluoren-9-ylmethoxy)carbonyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.