Chem
J-GLOBAL ID:201907003647607272
Nikkaji number:J3.739.042I
tert-butyl (2'R,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(1H-indol-5-yl)-2-oxo-1H-spiro[indole-3,3'-pyrrolidine]-5'-carboxylate
tert-ブチル(2'R,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(1H-インドール-5-イル)-2-オキソ-1H-スピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
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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:
C28 H26 BrN3 O3 S
Molecular formula furigana:
C28-H26-BR-N3-O3-S
Molecular weight:
564.500
InChI:
InChI=1S/C28H26BrN3O3S/c1-27(2,3)35-25(33)23-22(20-10-11-21(29)36-20)28(17-6-4-5-7-19(17)31-26(28)34)24(32-23)16-8-9-18-15(14-16)12-13-30-18/h4-14,22-24,30,32H,1-3H3,(H,31,34)/t22-,23+,24-,28-/m1/s1
InChI key:
AHXJAWHGXNECEE-GFXAMXPBSA-N
SMILES:
C1(=O)[C@]2(c3ccccc3N1)[C@@H]([C@H](N[C@@H]2c1cc2cc[nH]c2cc1)C(=O)OC(C)(C)C)c1sc(cc1)Br
Systematic name (3):
(2′S,3S,3′S,5′R)-2′-(tert-ブトキシカルボニル)-3′-(5-ブロモ-2-チエニル)-5′-(1H-インドール-5-イル)スピロ[インドリン-3,4′-ピロリジン]-2-オン
tert-ブチル(2'R,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(1H-インドール-5-イル)-2-オキソ-1,2-ジヒドロスピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
tert-butyl (2'R,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(1H-indol-5-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
Other name (2):
tert-ブチル(2'R,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(1H-インドール-5-イル)-2-オキソ-1H-スピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
tert-butyl (2'R,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(1H-indol-5-yl)-2-oxo-1H-spiro[indole-3,3'-pyrrolidine]-5'-carboxylate
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