5-[2-[1 (RS)-[[N-[(9-fluorenyl)methoxycarbonyl]-L-leucyl]amino]propyl]-4(RS),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(RS)-methylvaleric acid (HCID 22942065)

基本情報

標準SMILES: CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)B1OC(C)(C)C(C)(CCC(C)CC(=O)O)O1
InChIKey: ZOSSHPYOVXFWAT-LYPZTCEFSA-N
分子式: C35H49BN2O7
平均分子量: 620.6 g/mol
単同位体質量: 620.3632821

名称と識別子

優先名称: 5-[2-[1 (RS)-[[N-[(9-fluorenyl)methoxycarbonyl]-L-leucyl]amino]propyl]-4(RS),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(RS)-methylvaleric acid
IUPAC: 5-[2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]propyl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3-methylpentanoic acid

名称と別名

SCHEMBL7428660ZOSSHPYOVXFWAT-LYPZTCEFSA-N5-[2-[1 (RS)-[[N-[(9-fluorenyl)methoxycarbonyl]-L-leucyl]amino]propyl]-4(RS),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(RS)-methylvaleric acid5-[2-[1(RS)-[[N-[(9-fluorenyl)methoxycarbonyl]-L-leucyl]amino]propyl]-4(RS),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(RS)-methylvaleric acid

データベース識別子

PubChem CID: 22942065

物性

構造計算による物性

極性表面積: 123 Å²
水素結合供与体数: 3
水素結合受容体数: 7
回転可能結合数: 15
重原子数: 45
形式電荷: 0
複雑度: 1,000

化合物ノート

読み込み中…