Methyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride

HCID 67413654
ノート反応
部分構造検索類似構造を探す

基本情報

標準SMILES
COC(=O)N(C)[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6)[nH]5)cc4)cc3)cc2[nH]1)C(C)C.Cl
InChIKey
KURLVALDJISRGW-DMUPGHHHSA-N
分子式
C40H48ClN7O3
平均分子量
710.3 g/mol

名称と識別子

優先名称
Methyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride
IUPAC
methyl N-methyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[6-[4-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;hydrochloride

名称と別名

SCHEMBL2451385SCHEMBL14841692KURLVALDJISRGW-DMUPGHHHSA-Nmethyl {(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloridemethyl methyl((S)-3-methyl-1-((2S,4S)-4-methyl-2-(6-(4'-(2-((2S,4S)-4-methylpyrrolidin-2-yl)-1H-imidazol-5-yl)[1,1'-biphenyl]-4-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-1-oxobutan-2-yl)carbamate hydrochlorideMethyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride

データベース識別子

PubChem CID
67413654

物性

構造計算による物性

極性表面積
119 Ų
水素結合供与体数
4
水素結合受容体数
6
回転可能結合数
9
重原子数
51

関連反応

1 件
反応記録を作成

化合物ノート

読み込み中…