Chem
J-GLOBAL ID：201507012511553691   Nikkaji number：J3.436.290D

N-[(3S,6S,7R,10S,14R,15R)-15-Benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecane-6-yl]-3-(formylamino)-2-hydroxybenzamide

N-[(3S,6S,7R,10S,14R,15R)-15-ベンジル-10-sec-ブチル-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ン-6-イル]-3-(ホルミルアミノ)-2-ヒドロキシベンズアミド
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： 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+/m1/s1
InChI key： JIJATTFJYJZEBT-RAQGORSOSA-N
SMILES： CCC(C)C1OC(=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)：
  • N-[(3S,6S,7R,10S,14R,15R)-15-ベンジル-10-sec-ブチル-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ン-6-イル]-3-(ホルミルアミノ)-2-ヒドロキシベンズアミド
  • N-[(3S,6S,7R,10S,14R,15R)-15-ベンジル-10-(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,10S,14R,15R)-15-benzyl-10-(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 (1)：
  • N-[(3S,6S,7R,10S,14R,15R)-15-Benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecane-6-yl]-3-(formylamino)-2-hydroxybenzamide
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