Chem
J-GLOBAL ID:200907002069256360
Nikkaji number:J476.720I
HOE-288
(2S)-4-フェニル-2-[[(S)-1-[[(3S,5S)-5-ヒドロキシカルボニルスピロ[ピロリジン-3,2′-ビシクロ[2.2.2]オクタン]-1-イル]カルボニル]エチル]アミノ]ブタン酸エチル
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Substance type:
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
Molecular formula:
C27 H38 N2 O5
Molecular formula furigana:
C27-H38-N2-O5
Molecular weight:
470.610
InChI:
InChI=1S/C27H38N2O5/c1-3-34-26(33)22(14-11-19-7-5-4-6-8-19)28-18(2)24(30)29-17-27(16-23(29)25(31)32)15-20-9-12-21(27)13-10-20/h4-8,18,20-23,28H,3,9-17H2,1-2H3,(H,31,32)/t18-,20?,21?,22-,23-,27+/m0/s1
InChI key:
NWHCDUODNHUNLN-OPPWXAMSSA-N
SMILES:
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C[C@]2(C[C@H]1C(=O)O)CC1CCC2CC1
Systematic name (3):
(2S)-4-フェニル-2-[[(S)-1-[[(3S,5S)-5-ヒドロキシカルボニルスピロ[ピロリジン-3,2′-ビシクロ[2.2.2]オクタン]-1-イル]カルボニル]エチル]アミノ]ブタン酸エチル
(2S,5'S)-1'-[(2S)-2-{[(2S)-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]スピロ[ビシクロ[2.2.2]オクタン-2,3'-ピロリジン]-5'-カルボン酸
(2S,5'S)-1'-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]spiro[bicyclo[2.2.2]octane-2,3'-pyrrolidine]-5'-carboxylic acid
Other name (1):
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