Chem
J-GLOBAL ID：200907080702461255
Nikkaji number：J1.380.337D
(2S,3aβ,6aβ)-1-[(S)-2-[[(R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]propionyl]octahydrocyclopenta[b]pyrrole-2α-carboxylic acid
(2S,3aβ,6aβ)-1-[(S)-2-[[(R)-1-(エトキシカルボニル)-3-フェニルプロピル]アミノ]プロピオニル]オクタヒドロシクロペンタ[b]ピロール-2α-カルボン酸
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： C23H32N2O5
Molecular formula furigana： C23-H32-N2-O5
Molecular weight： 416.518
InChI：
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18+,19-,20-/m0/s1
InChI key：
HDACQVRGBOVJII-UVBQOVKKSA-N
SMILES：
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O
Systematic name (3)：
- (2S,3aβ,6aβ)-1-[(S)-2-[[(R)-1-(エトキシカルボニル)-3-フェニルプロピル]アミノ]プロピオニル]オクタヒドロシクロペンタ[b]ピロール-2α-カルボン酸
- (2S,3aS,6aS)-1-[(2S)-2-{[(2R)-1-エトキシ-1-オキソ-4-フェニルブタン-2-イル]アミノ}プロパノイル]-オクタヒドロシクロペンタ[b]ピロール-2-カルボン酸
- (2S,3aS,6aS)-1-[(2S)-2-{[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
- (2S,3aβ,6aβ)-1-[(S)-2-[[(R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]propionyl]octahydrocyclopenta[b]pyrrole-2α-carboxylic acid
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