Chem
J-GLOBAL ID：200907099853427000
Nikkaji number：J2.452.048J
(7aS)-6-Benzyl-14-oxo-6,7,7aα,8,13,13aα,14,14a-octahydro-5,6,14a-triazapentaphene-13α-carboxylic acid ethyl ester
(7aS)-6-ベンジル-14-オキソ-6,7,7aα,8,13,13aα,14,14a-オクタヒドロ-5,6,14a-トリアザペンタフェン-13α-カルボン酸エチル
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： C29H27N3O3
Molecular formula furigana： C29-H27-N3-O3
Molecular weight： 465.553
InChI：
InChI=1S/C29H27N3O3/c1-2-35-29(34)25-22-13-7-6-12-20(22)16-21-18-31(17-19-10-4-3-5-11-19)27-26(24(21)25)28(33)32-15-9-8-14-23(32)30-27/h3-15,21,24-25H,2,16-18H2,1H3/t21-,24+,25+/m1/s1
InChI key：
GMIQYYYLVRVVFS-ZODMCCGTSA-N
SMILES：
CCOC(=O)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)c3nc4ccccn4c(=O)c23)Cc2ccccc12
Systematic name (3)：
- (7aS)-6-ベンジル-14-オキソ-6,7,7aα,8,13,13aα,14,14a-オクタヒドロ-5,6,14a-トリアザペンタフェン-13α-カルボン酸エチル
- エチル (7aS,13R,13aS)-6-ベンジル-14-オキソ-7,7a,8,13,13a,14-ヘキサヒドロ-6H-5,6,15-トリアザペンタフェン-13-カルボキシラート
- ethyl (7aS,13R,13aS)-6-benzyl-14-oxo-7,7a,8,13,13a,14-hexahydro-6H-5,6,15-triazapentaphene-13-carboxylate
- (7aS)-6-Benzyl-14-oxo-6,7,7aα,8,13,13aα,14,14a-octahydro-5,6,14a-triazapentaphene-13α-carboxylic acid ethyl ester
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