Chem
J-GLOBAL ID：201507082025736617   Nikkaji number：J3.393.140I

Brocazine B

ブロカジンB
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： C18H18N2O6S2
Molecular formula furigana： C18-H18-N2-O6-S2
Molecular weight： 422.470
InChI： InChI=1S/C18H18N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1,3,7-8,11-14,23-24H,2,4-6H2/t7?,8?,11-,12-,13?,14?,17?,18?/m0/s1
InChI key： NOMAQNRAYYWNOP-YANMRKLWSA-N
SMILES： O[C@H]1CCC(=O)C2CC34SSC5(CC6C([C@@H](O)C=CC6=O)N5C3=O)C(=O)N4C12
Systematic name  (3)：
  • [1,2′-(オキソメチレン)-2,1′-(オキソメチレン)-2,2′-ジチオビス(4-オキソ-7α-ヒドロキシヘキサヒドロインドリン)]-5′-エン
  • (5S,15S)-5,15-ジヒドロキシ-21,22-ジチア-3,13-ジアザヘキサシクロ[9.9.2.01,13.03,11.04,9.014,19]ドコサ-6-エン-2,8,12,18-テトラオン
  • (5S,15S)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone
Other name (3)：
  • [1,2′-(Oxomethylene)-2,1′-(oxomethylene)-2,2′-dithiobis(4-oxo-7α-hydroxyhexahydroindoline)]-5′-ene
  • ブロカジンB
  • Brocazine B
Thsaurus map：
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