Chem
J-GLOBAL ID:200907050760642905   Nikkaji number:J1.542.445A

(3R)-6-Oxo-2-thia-5,14,15,16-tetraazatricyclo[11.2.1.07,12]hexadecane-1(16),4,7(12),8,10,13-hexene-3,4-dicarboxylic acid dimethyl ester

(3R)-6-オキソ-2-チア-5,14,15,16-テトラアザトリシクロ[11.2.1.07,12]ヘキサデカン-1(16),4,7(12),8,10,13-ヘキサエン-3,4-ジカルボン酸ジメチル
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: C15H12N4O5S
Molecular formula furigana: C15-H12-N4-O5-S
Molecular weight: 360.340
InChI: InChI=1S/C15H12N4O5S/c1-23-13(21)9-10(14(22)24-2)25-15-17-11(18-19-15)7-5-3-4-6-8(7)12(20)16-9/h3-6,10H,1-2H3,(H,17,18,19)/t10-/m1/s1
InChI key: AZZQPBAIUZPYMO-SNVBAGLBSA-N
SMILES: COC(=O)[C@@H]1Sc2nc(n[nH]2)c2ccccc2C(=O)N=C1C(=O)OC
Systematic name  (3):
  • (3R)-6-オキソ-2-チア-5,14,15,16-テトラアザトリシクロ[11.2.1.07,12]ヘキサデカン-1(16),4,7(12),8,10,13-ヘキサエン-3,4-ジカルボン酸ジメチル
  • 10,11-ジメチル (11R)-8-オキソ-12-チア-9,14,15,16-テトラアザトリシクロ[11.2.1.02,7]ヘキサデカ-1(15),2,4,6,9,13(16)-ヘキサエン-10,11-ジカルボキシラート
  • 10,11-dimethyl (11R)-8-oxo-12-thia-9,14,15,16-tetraazatricyclo[11.2.1.02,7]hexadeca-1(15),2,4,6,9,13(16)-hexaene-10,11-dicarboxylate
Other name (1):
  • (3R)-6-Oxo-2-thia-5,14,15,16-tetraazatricyclo[11.2.1.07,12]hexadecane-1(16),4,7(12),8,10,13-hexene-3,4-dicarboxylic acid dimethyl ester
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