Chem
J-GLOBAL ID：200907042259937331   Nikkaji number：J1.363.301K

(3R,13E)-3α-Isobutyl-10β-(4-methoxybenzyl)-16β-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-1-oxa-8,11-diazacyclohexadeca-13-ene-2,5,9,12-tetrone

(3R,13E)-3α-イソブチル-10β-(4-メトキシベンジル)-16β-[(S)-1-[(2R,3R)-3-フェニルオキシラニル]エチル]-1-オキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,5,9,12-テトラオン
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： C35H44N2O7
Molecular formula furigana： C35-H44-N2-O7
Molecular weight： 604.744
InChI： InChI=1S/C35H44N2O7/c1-22(2)19-26-21-27(38)17-18-36-34(40)29(20-24-13-15-28(42-4)16-14-24)37-31(39)12-8-11-30(43-35(26)41)23(3)32-33(44-32)25-9-6-5-7-10-25/h5-10,12-16,22-23,26,29-30,32-33H,11,17-21H2,1-4H3,(H,36,40)(H,37,39)/b12-8+/t23-,26+,29?,30-,32+,33+/m0/s1
InChI key： KNGZNRBPLJJLQQ-CLGYCVFTSA-N
SMILES： COc1ccc(CC2NC(=O)/C=C/C[C@H](OC(=O)[C@H](CC(C)C)CC(=O)CCNC2=O)[C@H](C)[C@H]2O[C@@H]2c2ccccc2)cc1
Systematic name  (4)：
  • (3R,13E)-3α-イソブチル-10β-(4-メトキシベンジル)-16β-[(S)-1-[(2R,3R)-3-フェニルオキシラニル]エチル]-1-オキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,5,9,12-テトラオン
  • (3R,10R,13E,16S)-10-(4-メトキシベンジル)-16-[(S)-1-[(2R,3R)-3-フェニルオキシラニル]エチル]-3-(2-メチルプロピル)-1-オキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,5,9,12-テトラオン
  • (2S,4E,8R,15R)-8-[(4-メトキシフェニル)メチル]-15-(2-メチルプロピル)-2-[(1S)-1-[(2R,3R)-3-フェニルオキシラン-2-イル]エチル]-1-オキサ-7,10-ジアザシクロヘキサデカ-4-エン-6,9,13,16-テトラオン
  • (2S,4E,8R,15R)-8-[(4-methoxyphenyl)methyl]-15-(2-methylpropyl)-2-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-7,10-diazacyclohexadec-4-ene-6,9,13,16-tetrone
Other name (2)：
  • (3R,13E)-3α-Isobutyl-10β-(4-methoxybenzyl)-16β-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-1-oxa-8,11-diazacyclohexadeca-13-ene-2,5,9,12-tetrone
  • (3R,10R,13E,16S)-10-(4-Methoxybenzyl)-16-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-3-(2-methylpropyl)-1-oxa-8,11-diazacyclohexadeca-13-ene-2,5,9,12-tetrone
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