Chem
J-GLOBAL ID:200907024851323895   Nikkaji number:J1.363.300B

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

(3S,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]-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,9,12-トリオン
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: C34H44N2O7
Molecular formula furigana: C34-H44-N2-O7
Molecular weight: 592.733
InChI: InChI=1S/C34H44N2O7/c1-22(2)20-29-34(39)42-28(23(3)31-32(43-31)25-10-6-5-7-11-25)12-8-13-30(37)36-27(33(38)35-18-9-19-41-29)21-24-14-16-26(40-4)17-15-24/h5-8,10-11,13-17,22-23,27-29,31-32H,9,12,18-21H2,1-4H3,(H,35,38)(H,36,37)/b13-8+/t23-,27?,28-,29-,31+,32+/m0/s1
InChI key: WCRGFTVYRMKLBJ-YCZXGOSDSA-N
SMILES: COc1ccc(CC2NC(=O)/C=C/C[C@H](OC(=O)[C@H](CC(C)C)OCCCNC2=O)[C@H](C)[C@H]2O[C@@H]2c2ccccc2)cc1
Systematic name  (4):
  • (3S,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]-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,9,12-トリオン
  • (3S,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)-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,9,12-トリオン
  • (3S,10R,13E,16S)-10-[(4-メトキシフェニル)メチル]-3-(2-メチルプロピル)-16-[(1S)-1-[(2R,3R)-3-フェニルオキシラン-2-イル]エチル]-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,9,12-トリオン
  • (3S,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,9,12-trione
Other name (2):
  • (3S,13E)-3α-Isobutyl-10β-(4-methoxybenzyl)-16β-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-13-ene-2,9,12-trione
  • (3S,10R,13E,16S)-10-(4-Methoxybenzyl)-16-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadeca-13-ene-2,9,12-trione
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