Chem
J-GLOBAL ID：200907044921381449   Nikkaji number：J1.012.447F

Topostatin

トポスタチン
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： C36H58N4O11S
Molecular formula furigana： C36-H58-N4-O11-S
Molecular weight： 754.940
InChI： InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/b18-16+,23-15+
InChI key： XLDIAUNLPWGNHO-XWZQQIMHSA-N
SMILES： CCCCCCCC(C)C/C=C(\C)/C=C/C(=O)C(C)CCC1OC(=O)C(CC(OS(=O)(=O)O)C(=O)N)NC(=O)C(C)CNC(=O)C(=C)NC(=O)C1C
Systematic name  (3)：
  • 硫酸1-カルバモイル-2-[1-オキサ-4,8,11-トリアザ-2,5,9,12-テトラオキソ-6,13-ジメチル-10-メチレン-14-[(5E,7E)-3,7,10-トリメチル-4-オキソ-5,7-ヘプタデカジエニル]シクロテトラデカン-3-イル]エチル
  • (1-カルバモイル-2-{6,13-ジメチル-10-メチリデン-2,5,9,12-テトラオキソ-14-[(5E,7E)-3,7,10-トリメチル-4-オキソヘプタデカ-5,7-ジエン-1-イル]-1-オキサ-4,8,11-トリアザシクロテトラデカン-3-イル}エトキシ)スルホン酸
  • (1-carbamoyl-2-{6,13-dimethyl-10-methylidene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxoheptadeca-5,7-dien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}ethoxy)sulfonic acid
Other name (3)：
  • Sulfuric acid 1-carbamoyl-2-[1-oxa-4,8,11-triaza-2,5,9,12-tetraoxo-6,13-dimethyl-10-methylene-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadienyl]cyclotetradecane-3-yl]ethyl ester
  • トポスタチン
  • Topostatin
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