2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
基本情報
- CAS
78233-96-2- 標準SMILES
O=C(NC(C(=O)O)C1CC(Cl)=NO1)OCC1c2ccccc2-c2ccccc21- InChIKey
BQADQSATVQNKNC-UHFFFAOYSA-N- 分子式
- C20H17ClN2O5
- 平均分子量
- 400.8 g/mol
- 単同位体質量
- 400.08259932
名称と識別子
- 優先名称
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- IUPAC
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
名称と別名
78233-96-2NSC3290812-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acidSCHEMBL11040693DTXSID80318337BQADQSATVQNKNC-UHFFFAOYSA-NFluorenylmethoxy carbonyl AT-1255-Isoxazoleacetic acid,5-dihydro-NSC-329081U-58175(3-Chloro-4,5-dihydro-1,2-oxazol-5-yl)({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid3 -chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid
名称をさらに表示
3-chloro-alpha -[[(9H-fluoren-9ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[ (9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid3-chloro-alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid
データベース識別子
- CAS
78233-96-2- PubChem CID
- 332366
- DTXSID
DTXSID80318337
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 97.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 620
関連反応
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