Chem
J-GLOBAL ID：200907064231403408   Nikkaji number：J366.815K

L-156602

L-156602
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： C38H64N8O13
Molecular formula furigana： C38-H64-N8-O13
Molecular weight： 840.973
InChI： InChI=1S/C38H64N8O13/c1-9-21(4)18-25-14-15-38(55,59-24(25)7)37(8,54)36(53)42-29-30(20(2)3)58-35(52)23(6)46(57)32(49)26-12-10-16-40-43(26)28(47)19-39-31(48)22(5)45(56)33(50)27-13-11-17-41-44(27)34(29)51/h20-27,29-30,40-41,54-57H,9-19H2,1-8H3,(H,39,48)(H,42,53)/t21-,22-,23+,24-,25+,26-,27+,29-,30-,37-,38+/m0/s1
InChI key： ZJZOPNINWIGNQW-CUWIWTDNSA-N
SMILES： CC[C@H](C)C[C@H]1CC[C@@](O)(O[C@H]1C)[C@@](C)(O)C(=O)N[C@H]1[C@@H](OC(=O)[C@@H](C)N(O)C(=O)[C@@H]2CCCNN2C(=O)CNC(=O)[C@H](C)N(O)C(=O)[C@H]2CCCNN2C1=O)C(C)C
Systematic name  (3)：
  • 18-ヒドロキシ-48-デメトキシ-33β-メチル-43-[(S)-1-メチルプロピル]-33-デ[(3S,1E,5E)-3-エチル-1,5-ジメチル-4-オキソ-1,5-ヘプタジエニル]-52-デオキシ-42,50,51,53-テトラノルアジノトリシン
  • (2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-ジヒドロキシ-6,20-ジメチル-2,5,8,15,19,22-ヘキサオキソ-17-(プロパン-2-イル)-18-オキサ-1,4,7,13,14,21,27-ヘプタアザトリシクロ[21.4.0.09,14]ヘプタコサン-16-イル]-2-ヒドロキシ-2-[(2R,5R,6S)-2-ヒドロキシ-6-メチル-5-[(2S)-2-メチルブチル]オキサン-2-イル]プロパンアミド
  • (2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-(propan-2-yl)-18-oxa-1,4,7,13,14,21,27-heptaazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[(2R,5R,6S)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]oxan-2-yl]propanamide
Other name (3)：
  • L-156602
  • 18-Hydroxy-48-demethoxy-33β-methyl-43-[(S)-1-methylpropyl]-33-de[(3S,1E,5E)-3-ethyl-1,5-dimethyl-4-oxo-1,5-heptadienyl]-52-deoxy-42,50,51,53-tetranorazinothricin
  • PD-124966
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