Chem
J-GLOBAL ID：200907046643323214
Nikkaji number：J1.120.420A
(6R)-3-(2-tert-Butyl-4-amino-5-methylphenylthio)-4-hydroxy-6-(4-aminophenethyl)-6-isopropyl-5,6-dihydro-2H-pyran-2-one
(6R)-3-(2-tert-ブチル-4-アミノ-5-メチルフェニルチオ)-4-ヒドロキシ-6-(4-アミノフェネチル)-6-イソプロピル-5,6-ジヒドロ-2H-ピラン-2-オン
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： C27H36N2O3S
Molecular formula furigana： C27-H36-N2-O3-S
Molecular weight： 468.660
InChI：
InChI=1S/C27H36N2O3S/c1-16(2)27(12-11-18-7-9-19(28)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(29)14-20(23)26(4,5)6/h7-10,13-14,16,30H,11-12,15,28-29H2,1-6H3/t27-/m1/s1
InChI key：
JYNMTMPESNHQSR-HHHXNRCGSA-N
SMILES：
CC(C)[C@@]1(CCc2ccc(N)cc2)CC(=C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1)O
Systematic name (3)：
- (6R)-3-(2-tert-ブチル-4-アミノ-5-メチルフェニルチオ)-4-ヒドロキシ-6-(4-アミノフェネチル)-6-イソプロピル-5,6-ジヒドロ-2H-ピラン-2-オン
- (6R)-3-[(4-アミノ-2-tert-ブチル-5-メチルフェニル)スルファニル]-6-[2-(4-アミノフェニル)エチル]-4-ヒドロキシ-6-(プロパン-2-イル)-5,6-ジヒドロ-2H-ピラン-2-オン
- (6R)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-6-[2-(4-aminophenyl)ethyl]-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
- (6R)-3-(2-tert-Butyl-4-amino-5-methylphenylthio)-4-hydroxy-6-(4-aminophenethyl)-6-isopropyl-5,6-dihydro-2H-pyran-2-one
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