Chem
J-GLOBAL ID：200907072420219513   Nikkaji number：J1.809.772I

5′-O-[6-[3-(2-Carboxyethyldithio)propionylamino]hexyl]-3′-thymidylic acid

5′-O-[6-[3-(2-カルボキシエチルジチオ)プロピオニルアミノ]ヘキシル]-3′-チミジル酸
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： C22H36N3O11PS2
Molecular formula furigana： C22-H36-N3-O11-P-S2
Molecular weight： 613.630
InChI： InChI=1S/C22H36N3O11PS2/c1-15-13-25(22(30)24-21(15)29)19-12-16(36-37(31,32)33)17(35-19)14-34-9-5-3-2-4-8-23-18(26)6-10-38-39-11-7-20(27)28/h13,16-17,19H,2-12,14H2,1H3,(H,23,26)(H,27,28)(H,24,29,30)(H2,31,32,33)/t16-,17+,19+/m0/s1
InChI key： SJMJRTXLDQMKKS-YQVWRLOYSA-N
SMILES： Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COCCCCCCNC(=O)CCSSCCC(=O)O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5′-O-[6-[3-(2-カルボキシエチルジチオ)プロピオニルアミノ]ヘキシル]-3′-チミジル酸
  • 3-({2-[(6-{[(2R,3S,5R)-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}ヘキシル)カルバモイル]エチル}ジスルファニル)プロパン酸
  • 3-({2-[(6-{[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-(phosphonooxy)oxolan-2-yl]methoxy}hexyl)carbamoyl]ethyl}disulfanyl)propanoic acid
Other name (1)：
  • 5′-O-[6-[3-(2-Carboxyethyldithio)propionylamino]hexyl]-3′-thymidylic acid
Thsaurus map：
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