Chem
J-GLOBAL ID：200907002561787053
Nikkaji number：J1.844.114D
[[[(1S,2α,6α,7β)-3,5-Dioxo-4-[4-(acetylamino)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-8-ene-1-yl]carbamoyl]oxy]acetic acid
2-({[(1S,2S,6S,7S)-4-(4-アセトアミドフェニル)-3,5-ジオキソ-4-アザトリシクロ[5.2.2.02,6]ウンデカ-8-エン-1-イル]カルバモイル}オキシ)酢酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C21H21N3O7
Molecular formula furigana： C21-H21-N3-O7
Molecular weight： 427.413
InChI：
InChI=1S/C21H21N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-6,8,12,16-17H,7,9-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16+,17-,21-/m1/s1
InChI key：
SHEXYVYVLNTWRP-ACGMZIBCSA-N
SMILES：
CC(=O)Nc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(CC[C@H]2C=C1)NC(=O)OCC(=O)O
Systematic name (3)：
- [[[(1S,2α,6α,7β)-3,5-ジオキソ-4-[4-(アセチルアミノ)フェニル]-4-アザトリシクロ[5.2.2.02,6]ウンデカ-8-エン-1-イル]カルバモイル]オキシ]酢酸
- 2-({[(1S,2S,6S,7S)-4-(4-アセトアミドフェニル)-3,5-ジオキソ-4-アザトリシクロ[5.2.2.02,6]ウンデカ-8-エン-1-イル]カルバモイル}オキシ)酢酸
- 2-({[(1S,2S,6S,7S)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl]carbamoyl}oxy)acetic acid
- [[[(1S,2α,6α,7β)-3,5-Dioxo-4-[4-(acetylamino)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-8-ene-1-yl]carbamoyl]oxy]acetic acid
Return to Previous Page
