N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 4-nitrophenyl ester

HCID 1810201CAS 3350-19-4

基本情報

標準SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey: HCKZUUZDQIKPEF-AWEZNQCLSA-N
分子式: C17H24N2O6
平均分子量: 352.4 g/mol

名称と識別子

優先名称: N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 4-nitrophenyl ester
IUPAC: (4-nitrophenyl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

名称と別名

3350-19-4N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 4-nitrophenyl esterN-((1,1-Dimethylethoxy)carbonyl)-L-leucine 4-nitrophenyl esterRefChem:359505Boc-Leu-ONpMFCD00038291(4-nitrophenyl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate(S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoateSCHEMBL5434236HCKZUUZDQIKPEF-AWEZNQCLSA-NAKOS016003190FD21905

名称をさらに表示

AS-49235CS-0332840NS00048497ST510375264-Nitrophenyl (tert-butoxycarbonyl)-L-leucinateF2243694-nitrophenyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-leucinate(4-nitrophenyl) (2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate

データベース識別子

CAS: 3350-19-4
PubChem CID: 1810201
EC Number: 222-107-3
Nikkaji: J205.433G

物性

構造計算による物性

XLogP: 4
極性表面積: 110 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 25
形式電荷: 0
複雑度: 473