Chem
J-GLOBAL ID:200907025245258634   Nikkaji number:J2.255.870F

2,2′-[3-Oxo-6-hydroxy-9-(2-carboxyphenyl)-3H-xanthene-4,5-diyl]bis[(4R)-thiazolidine-4α-carboxylic acid]

2,2′-[3-オキソ-6-ヒドロキシ-9-(2-カルボキシフェニル)-3H-キサンテン-4,5-ジイル]ビス[(4R)-チアゾリジン-4α-カルボン酸]
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: C28H22N2O9S2
Molecular formula furigana: C28-H22-N2-O9-S2
Molecular weight: 594.610
InChI: InChI=1S/C28H22N2O9S2/c31-17-7-5-13-19(11-3-1-2-4-12(11)26(33)34)14-6-8-18(32)21(25-30-16(10-41-25)28(37)38)23(14)39-22(13)20(17)24-29-15(9-40-24)27(35)36/h1-8,15-16,24-25,29-31H,9-10H2,(H,33,34)(H,35,36)(H,37,38)/t15-,16-,24?,25?/m0/s1
InChI key: UCYFGENHTPRCTB-LROCSFEJSA-N
SMILES: OC(=O)[C@@H]1CSC(N1)c1c(O)ccc2c(c3ccccc3C(=O)O)c3ccc(=O)c(C4N[C@@H](CS4)C(=O)O)c3oc12
Systematic name  (3):
  • 2,2′-[3-オキソ-6-ヒドロキシ-9-(2-カルボキシフェニル)-3H-キサンテン-4,5-ジイル]ビス[(4R)-チアゾリジン-4α-カルボン酸]
  • (4R)-2-{4-[(4R)-4-カルボキシ-1,3-チアゾリジン-2-イル]-9-(2-カルボキシフェニル)-6-ヒドロキシ-3-オキソ-3H-キサンテン-5-イル}-1,3-チアゾリジン-4-カルボン酸
  • (4R)-2-{4-[(4R)-4-carboxy-1,3-thiazolidin-2-yl]-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl}-1,3-thiazolidine-4-carboxylic acid
Other name (1):
  • 2,2′-[3-Oxo-6-hydroxy-9-(2-carboxyphenyl)-3H-xanthene-4,5-diyl]bis[(4R)-thiazolidine-4α-carboxylic acid]
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