Chem
J-GLOBAL ID：200907092391363481   Nikkaji number：J125.664E

Neoantimycin

ネオアンチマイシン
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： C36H46N2O12
Molecular formula furigana： C36-H46-N2-O12
Molecular weight： 698.766
InChI： InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20-,21+,25?,26-,28-,29+,30+/m0/s1
InChI key： JIJATTFJYJZEBT-POMKJIMJSA-N
SMILES： CC[C@H](C)[C@H]1OC(=O)C(C)(C)[C@H](O)C(Cc2ccccc2)OC(=O)[C@@H](OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O)C(C)C
Systematic name  (3)：
  • 3-ホルミルアミノ-N-[(3S,6S,7R,10R,14S,15S)-15-ベンジル-10-[(2S)-ブタン-2-イル]-14-ヒドロキシ-3-イソプロピル-7,13,13-トリメチル-2,5,9,12-テトラオキソ-1,4,8,11-テトラオキサシクロペンタデカ-6-イル]-2-ヒドロキシベンズアミド
  • N-[(3S,6S,7R,10R,14S,15S)-15-ベンジル-10-[(2S)-ブタン-2-イル]-14-ヒドロキシ-7,13,13-トリメチル-2,5,9,12-テトラオキソ-3-(プロパン-2-イル)-1,4,8,11-テトラオキサシクロペンタデカン-6-イル]-3-ホルムアミド-2-ヒドロキシベンズアミド
  • N-[(3S,6S,7R,10R,14S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide
Other name (3)：
  • ネオアンチマイシン
  • Neoantimycin
  • 3-Formylamino-N-[(3S,6S,7R,10R,14S,15S)-15-benzyl-10-[(2S)-butane-2-yl]-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadeca-6-yl]-2-hydroxybenzamide
CAS registry number： 22862-63-1
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