Chem
J-GLOBAL ID：200907068080659818   Nikkaji number：J1.900.533J

(2S,5R,6R,14S,18R)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-18-(2-phenyl-7-methoxy-4-quinolyloxy)-1,4-diazacyclopentadecane-5-carboxylic acid

(2S,5R,6R,14S,18R)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-18-(2-フェニル-7-メトキシ-4-キノリルオキシ)-1,4-ジアザシクロペンタデカン-5-カルボン酸
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： C39H48N4O8
Molecular formula furigana： C39-H48-N4-O8
Molecular weight： 700.833
InChI： InChI=1S/C39H48N4O8/c1-38(2,3)51-37(48)41-29-16-12-7-5-6-11-15-25-22-39(25,36(46)47)42-34(44)32-20-27(23-43(32)35(29)45)50-33-21-30(24-13-9-8-10-14-24)40-31-19-26(49-4)17-18-28(31)33/h8-10,13-14,17-19,21,25,27,29,32H,5-7,11-12,15-16,20,22-23H2,1-4H3,(H,41,48)(H,42,44)(H,46,47)/t25-,27-,29+,32+,39-/m1/s1
InChI key： SDKAXOIJNVWDHM-AFEGEDAASA-N
SMILES： COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCCCC[C@@H]3C[C@]3(NC4=O)C(=O)O)NC(=O)OC(C)(C)C)cc(nc2c1)c1ccccc1
Systematic name  (3)：
  • (2S,5R,6R,14S,18R)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-18-(2-フェニル-7-メトキシ-4-キノリルオキシ)-1,4-ジアザシクロペンタデカン-5-カルボン酸
  • (1S,4R,6R,14S,18R)-14-{[(tert-ブトキシ)カルボニル]アミノ}-18-[(7-メトキシ-2-フェニルキノリン-4-イル)オキシ]-2,15-ジオキソ-3,16-ジアザトリシクロ[14.3.0.04,6]ノナデカン-4-カルボン酸
  • (1S,4R,6R,14S,18R)-14-{[(tert-butoxy)carbonyl]amino}-18-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid
Other name (1)：
  • (2S,5R,6R,14S,18R)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-18-(2-phenyl-7-methoxy-4-quinolyloxy)-1,4-diazacyclopentadecane-5-carboxylic acid
Thsaurus map：
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