Chem
J-GLOBAL ID：200907001563870814   Nikkaji number：J1.085.602G

FR-901277

FR-901277
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： C48H65N9O12
Molecular formula furigana： C48-H65-N9-O12
Molecular weight： 960.099
InChI： InChI=1S/C48H65N9O12/c1-8-29-42(63)52-31-16-17-38(61)57(46(31)67)34(20-27-13-10-9-11-14-27)47(68)56(7)33-21-28-22-35(58)36(59)23-32(28)53-48(69)49-18-12-15-30(51-41(62)25(4)5)43(64)55-40(45(66)50-29)26(6)19-37(60)39(24(2)3)54-44(33)65/h8-11,13-14,22-26,30-31,33-34,38-40,58-59,61H,12,15-21H2,1-7H3,(H,50,66)(H,51,62)(H,52,63)(H,54,65)(H,55,64)(H2,49,53,69)
InChI key： AUNJMWFKPVGHJJ-UHFFFAOYSA-N
SMILES： CC=C1NC(=O)C2NC(=O)C(CCCNC(=O)Nc3cc(O)c(O)cc3CC(N(C)C(=O)C(Cc3ccccc3)N3C(O)CCC(NC1=O)C3=O)C(=O)NC(C(C)C)C(=O)CC2C)NC(=O)C(C)C
Systematic name  (3)：
  • 3,9,20,28,31,34,37,38-オクタオキソ-11,12,13,14,15,16-ヘキサデヒドロ-4-(イソブチリルアミノ)-13,14,23-トリヒドロキシ-19,32-ジメチル-21-ベンジル-29-エチリデン-35-イソプロピル-2,8,10,19,22,27,30,36-オクタアザテトラシクロ[16.13.6.122,26.011,16]オクタトリアコンタン
  • N-[29-ベンジル-21-エチリデン-5,6,27-トリヒドロキシ-31,37-ジメチル-10,16,19,22,30,32,35,38-オクタオキソ-34-(プロパン-2-イル)-9,11,17,20,23,28,31,33-オクタアザテトラシクロ[16.13.6.124,28.03,8]オクタトリアコンタ-3,5,7-トリエン-15-イル]-2-メチルプロパンアミド
  • N-[29-benzyl-21-ethylidene-5,6,27-trihydroxy-31,37-dimethyl-10,16,19,22,30,32,35,38-octaoxo-34-(propan-2-yl)-9,11,17,20,23,28,31,33-octaazatetracyclo[16.13.6.124,28.03,8]octatriaconta-3,5,7-trien-15-yl]-2-methylpropanamide
Other name (2)：
  • 3,9,20,28,31,34,37,38-Octaoxo-11,12,13,14,15,16-hexadehydro-4-(isobutyrylamino)-13,14,23-trihydroxy-19,32-dimethyl-21-benzyl-29-ethylidene-35-isopropyl-2,8,10,19,22,27,30,36-octaazatetracyclo[16.13.6.122,26.011,16]octatriacontane
  • FR-901277
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