2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid

HCID 22288232

基本情報

標準SMILES
C=CCC(CC=C)(C(=O)O)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey
ILGDJQHTMVWXFE-UHFFFAOYSA-N
分子式
C30H35N3O4
平均分子量
501.6 g/mol

名称と識別子

優先名称
2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid
IUPAC
5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoic acid

名称と別名

SCHEMBL4143906ILGDJQHTMVWXFE-UHFFFAOYSA-N2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid

データベース識別子

PubChem CID
22288232

物性

構造計算による物性

XLogP
5.3
極性表面積
99.1 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
11
重原子数
37

関連反応

7 件

関連ノート

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