Chem
J-GLOBAL ID：201307077540815998   Nikkaji number：J3.135.181B

2-[(S)-1,1-Dimethyl-2-hydroxy-2-[2α-[2-(2-hydroxyphenyl)-2-thiazoline-4β-yl]thiazolidine-4α-yl]ethyl]-4-methyl-2-thiazoline-4β-carboxylic acid

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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： C21H27N3O4S3
Molecular formula furigana： C21-H27-N3-O4-S3
Molecular weight： 481.640
InChI： InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1
InChI key： JHYVWAMMAMCUIR-NIJJZIDKSA-N
SMILES： CC(C)([C@H](O)[C@@H]1CS[C@@H](N1)[C@H]1CSC(=N1)c1ccccc1O)C1=N[C@](C)(CS1)C(=O)O
Systematic name  (3)：
  • 2-[(S)-1,1-ジメチル-2-ヒドロキシ-2-[2α-[2-(2-ヒドロキシフェニル)-2-チアゾリン-4β-イル]チアゾリジン-4α-イル]エチル]-4-メチル-2-チアゾリン-4β-カルボン酸
  • (4S)-2-[(1S)-1-ヒドロキシ-1-[(2R,4R)-2-[(4R)-2-(2-ヒドロキシフェニル)-4,5-ジヒドロ-1,3-チアゾール-4-イル]-1,3-チアゾリジン-4-イル]-2-メチルプロパン-2-イル]-4-メチル-4,5-ジヒドロ-1,3-チアゾール-4-カルボン酸
  • (4S)-2-[(1S)-1-hydroxy-1-[(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Other name (2)：
  • 2-[(S)-1,1-Dimethyl-2-hydroxy-2-[2α-[2-(2-hydroxyphenyl)-2-thiazoline-4β-yl]thiazolidine-4α-yl]ethyl]-4-methyl-2-thiazoline-4β-carboxylic acid
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