Chem
J-GLOBAL ID:200907050010185545   Nikkaji number:J789.514C

(7S,10R,13R)-2,5-(1-Chloro-1,2-ethenediyl)-9,12-dioxo-10-(4-methoxyphenyl)-13-amino-14,18-methylidyne-17-hydroxy-1-oxa-8,11-diazacyclooctadeca-2,4,14,16-tetrene-7-carboxylic acid methyl ester

(7S,10R,13R)-2,5-(1-クロロ-1,2-エテンジイル)-9,12-ジオキソ-10-(4-メトキシフェニル)-13-アミノ-14,18-メチリジン-17-ヒドロキシ-1-オキサ-8,11-ジアザシクロオクタデカ-2,4,14,16-テトラエン-7-カルボン酸メチル
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: C27H26ClN3O7
Molecular formula furigana: C27-H26-CL-N3-O7
Molecular weight: 539.970
InChI: InChI=1S/C27H26ClN3O7/c1-36-17-7-4-15(5-8-17)24-26(34)30-19(27(35)37-2)12-14-3-10-21(18(28)11-14)38-22-13-16(6-9-20(22)32)23(29)25(33)31-24/h3-11,13,19,23-24,32H,12,29H2,1-2H3,(H,30,34)(H,31,33)/t19-,23+,24+/m0/s1
InChI key: YPQLEOHNIFNDDY-WUMKDDEVSA-N
SMILES: COC(=O)[C@@H]1Cc2ccc(Oc3cc(ccc3O)[C@@H](N)C(=O)N[C@H](c3ccc(OC)cc3)C(=O)N1)c(Cl)c2
Systematic name  (4):
  • (7S,10R,13R)-2,5-(1,2-エテンジイル)-3-クロロ-9,12-ジオキソ-10-(4-メトキシフェニル)-13-アミノ-14,18-メチリジン-17-ヒドロキシ-1-オキサ-8,11-ジアザシクロオクタデカ-2,4,14,16-テトラエン-7-カルボン酸メチル
  • (7S,10R,13R)-2,5-(1-クロロ-1,2-エテンジイル)-9,12-ジオキソ-10-(4-メトキシフェニル)-13-アミノ-14,18-メチリジン-17-ヒドロキシ-1-オキサ-8,11-ジアザシクロオクタデカ-2,4,14,16-テトラエン-7-カルボン酸メチル
  • メチル (8R,11R,14S)-8-アミノ-19-クロロ-4-ヒドロキシ-11-(4-メトキシフェニル)-9,12-ジオキソ-2-オキサ-10,13-ジアザトリシクロ[14.2.2.13,7]ヘンイコサ-1(18),3(21),4,6,16,19-ヘキサエン-14-カルボキシラート
  • methyl (8R,11R,14S)-8-amino-19-chloro-4-hydroxy-11-(4-methoxyphenyl)-9,12-dioxo-2-oxa-10,13-diazatricyclo[14.2.2.13,7]henicosa-1(18),3(21),4,6,16,19-hexaene-14-carboxylate
Other name (2):
  • (7S,10R,13R)-2,5-(1-Chloro-1,2-ethenediyl)-9,12-dioxo-10-(4-methoxyphenyl)-13-amino-14,18-methylidyne-17-hydroxy-1-oxa-8,11-diazacyclooctadeca-2,4,14,16-tetrene-7-carboxylic acid methyl ester
  • (7S,10R,13R)-2,5-(1,2-Ethenediyl)-3-chloro-9,12-dioxo-10-(4-methoxyphenyl)-13-amino-14,18-methylidyne-17-hydroxy-1-oxa-8,11-diazacyclooctadeca-2,4,14,16-tetrene-7-carboxylic acid methyl ester
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