Chem
J-GLOBAL ID：200907099614225145   Nikkaji number：J2.730.602K

(2R)-1,2α-[[(1S)-7-Isopropyl-2,3-dihydro-1H-indene-1α,2α-diyl]oxy]-3β-ethyl-6β-[1-(phenylsulfonyl)-1H-indole-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxylic acid tert-butyl ester

(2R)-1,2α-[[(1S)-7-イソプロピル-2,3-ジヒドロ-1H-インデン-1α,2α-ジイル]オキシ]-3β-エチル-6β-[1-(フェニルスルホニル)-1H-インドール-2-イル]-1,2,3,6-テトラヒドロピリジン-4-カルボン酸tert-ブチル
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： C38H42N2O5S
Molecular formula furigana： C38-H42-N2-O5-S
Molecular weight： 638.820
InChI： InChI=1S/C38H42N2O5S/c1-7-27-29(37(41)45-38(4,5)6)22-31(39-35-33(44-36(27)39)21-25-15-13-18-28(23(2)3)34(25)35)32-20-24-14-11-12-19-30(24)40(32)46(42,43)26-16-9-8-10-17-26/h8-20,22-23,27,31,33,35-36H,7,21H2,1-6H3/t27-,31-,33+,35+,36+/m0/s1
InChI key： NLEHMLNVYGMYPI-RNEFWIJFSA-N
SMILES： CC[C@@H]1[C@H]2O[C@@H]3Cc4cccc(C(C)C)c4[C@@H]3N2[C@@H](C=C1C(=O)OC(C)(C)C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
Systematic name  (3)：
  • (2R)-1,2α-[[(1S)-7-イソプロピル-2,3-ジヒドロ-1H-インデン-1α,2α-ジイル]オキシ]-3β-エチル-6β-[1-(フェニルスルホニル)-1H-インドール-2-イル]-1,2,3,6-テトラヒドロピリジン-4-カルボン酸tert-ブチル
  • tert-ブチル (1S,3S,6S,7R,9R)-3-[1-(ベンゼンスルホニル)-1H-インドール-2-イル]-6-エチル-15-(プロパン-2-イル)-8-オキサ-2-アザテトラシクロ[7.7.0.02,7.011,16]ヘキサデカ-4,11,13,15-テトラエン-5-カルボキシラート
  • tert-butyl (1S,3S,6S,7R,9R)-3-[1-(benzenesulfonyl)-1H-indol-2-yl]-6-ethyl-15-(propan-2-yl)-8-oxa-2-azatetracyclo[7.7.0.02,7.011,16]hexadeca-4,11,13,15-tetraene-5-carboxylate
Other name (1)：
  • (2R)-1,2α-[[(1S)-7-Isopropyl-2,3-dihydro-1H-indene-1α,2α-diyl]oxy]-3β-ethyl-6β-[1-(phenylsulfonyl)-1H-indole-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxylic acid tert-butyl ester
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