(7-Methoxynaphthalen-2-yl)sulfonic acid {1-[1-amino-7-isoquinolinylmethyl]-2-oxopyrrolidin-3-(S)-yl}amide hydrochloride

HCID 70124326

基本情報

標準SMILES
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5ccnc(N)c5c4)C3=O)cc2c1.Cl
InChIKey
CHHOGAXEDDUADQ-BQAIUKQQSA-N
分子式
C25H25ClN4O4S
平均分子量
513 g/mol

名称と識別子

優先名称
(7-Methoxynaphthalen-2-yl)sulfonic acid {1-[1-amino-7-isoquinolinylmethyl]-2-oxopyrrolidin-3-(S)-yl}amide hydrochloride
IUPAC
N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;hydrochloride

名称と別名

SCHEMBL7544616CHHOGAXEDDUADQ-BQAIUKQQSA-N(7-Methoxynaphthalen-2-yl)sulfonic acid {1-[1-amino-7-isoquinolinylmethyl]-2-oxopyrrolidin-3 -(S)-yl}amide hydrochloride(7-Methoxynaphthalen-2-yl)sulfonic acid {1-[1-amino-7-isoquinolinylmethyl]-2-oxopyrrolidin-3-(S)-yl}amide hydrochloride7-Methoxynaphthalene-2-sulfonic Acid [1-(1-Aminoisoquinolin-7-yl-methyl)-2-oxopyrrolidin-3-(S)-yl]-amide Hydrochloride7-methoxynaphthalene-2-sulfonic acid[1-(1-aminoisoquinolin-7-yl-methyl)-2-oxopyrrolidin-3-(s)-yl]-amide hydrochloride7-Methoxynapthalene-2-sulfonic acid [1-(1-aminoisoquinolin-7-yl-methyl)-2-oxopyrrolidin-3-(S)-yl]-amide hydrochloride

データベース識別子

PubChem CID
70124326

物性

構造計算による物性

極性表面積
123 Ų
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
6
重原子数
35

関連反応

6 件

化合物ノート

読み込み中…