Chem
J-GLOBAL ID：200907029439359437   Nikkaji number：J201.472F

Nosiheptide

ノシヘプチド
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： C51H43N13O12S6
Molecular formula furigana： C51-H43-N13-O12-S6
Molecular weight： 1222.340
InChI： InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)
InChI key： OQAOHXRUMXWDLQ-UHFFFAOYSA-N
SMILES： CC=C1NC(=O)C(NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)C2CSC(=O)c3[nH]c4cccc(COC(=O)C(O)CC(NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)c4c3C)c1nc(cs1)C(=O)NC(=C)C(=O)N)C(C)O
Systematic name  (3)：
  • ノシヘプチド
  • 2-({2-[21-エチリデン-9,30-ジヒドロキシ-18-(1-ヒドロキシエチル)-40-メチル-16,19,26,31,42,46-ヘキサオキソ-32-オキサ-3,13,23,43,49-ペンタチア-7,17,20,27,45,51,52,53,54,55-デカアザノナシクロ[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]ペンタペンタコンタ-2(55),4,6,8,10,12(54),14,22(53),24,34(39),35,37,40,47,50-ペンタデカエン-8-イル]-1,3-チアゾール-4-イル}ホルムアミド)プロパ-2-エンアミド
  • 2-({2-[21-ethylidene-9,30-dihydroxy-18-(1-hydroxyethyl)-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decaazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
Other name (2)：
  • Nosiheptide
  • ノシヘプタイド
CAS registry number： 56377-79-8
Regulation number (1)：
  • EINECS2601384
KEGG DRUG： D02392
KEGG COMPOUND： C12053
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