Chem
J-GLOBAL ID：200907034311108940   Nikkaji number：J1.381.282I

Maduropeptin chromophore

マズロペプチンクロモホア
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： C39H39ClN2O11
Molecular formula furigana： C39-H39-CL-N2-O11
Molecular weight： 747.190
InChI： InChI=1S/C39H39ClN2O11/c1-19-8-9-20(2)33(46)31(19)36(48)41-27-18-51-37(35(47)38(27,3)49)53-39-22(12-15-28(39)44)11-10-21-6-5-7-29(39)52-34-26(50-4)14-13-23(32(34)40)25(43)16-30(45)42-17-24(21)42/h6,8-9,12-14,24-25,27-29,35,37,43-44,46-47,49H,15-18H2,1-4H3,(H,41,48)/b21-6+/t24-,25-,27+,28-,29-,35-,37-,38+,39+,42?/m0/s1
InChI key： COWXNEIUEWGAHQ-IXEMCDJMSA-N
SMILES： COc1ccc2[C@@H](O)CC(=O)N3C[C@H]3/C/3=C/C#C[C@H](Oc1c2Cl)[C@]1(O[C@@H]2OC[C@@H](NC(=O)c4c(C)ccc(C)c4O)[C@@](C)(O)[C@H]2O)[C@@H](O)CC=C1C#C3
Systematic name  (3)：
  • (1E,2R,7S,14S,15R,16S)-7,16-ジヒドロキシ-11-メトキシ-15-[[4-[(2-ヒドロキシ-3,6-ジメチルベンゾイル)アミノ]-3-C-メチル-4-デオキシ-β-D-リボピラノシル]オキシ]-25-クロロ-4-アザ-13-オキサペンタシクロ[12.7.3.18,12.02,4.015,19]ペンタコサン-1(22),8,10,12(25),18-ペンタエン-20,23-ジイン-5-オン
  • N-[(3R,4R,5R,6S)-6-{[(1E,2R,7S,14S,15R,16S)-25-クロロ-7,16-ジヒドロキシ-11-メトキシ-5-オキソ-13-オキサ-4-アザペンタシクロ[12.7.3.18,12.02,4.015,19]ペンタコサ-1(22),8,10,12(25),18-ペンタエン-20,23-ジイン-15-イル]オキシ}-4,5-ジヒドロキシ-4-メチルオキサン-3-イル]-2-ヒドロキシ-3,6-ジメチルベンズアミド
  • N-[(3R,4R,5R,6S)-6-{[(1E,2R,7S,14S,15R,16S)-25-chloro-7,16-dihydroxy-11-methoxy-5-oxo-13-oxa-4-azapentacyclo[12.7.3.18,12.02,4.015,19]pentacosa-1(22),8,10,12(25),18-pentaen-20,23-diyn-15-yl]oxy}-4,5-dihydroxy-4-methyloxan-3-yl]-2-hydroxy-3,6-dimethylbenzamide
Other name (5)：
  • マズロペプチンクロモホア
  • Maduropeptin chromophore
  • マデュロペプチンクロモフォア
  • マデュロペプチンクロモホア
  • (1E,2R,7S,14S,15R,16S)-7,16-Dihydroxy-11-methoxy-15-[[4-[(2-hydroxy-3,6-dimethylbenzoyl)amino]-3-C-methyl-4-deoxy-β-D-ribopyranosyl]oxy]-25-chloro-4-aza-13-oxapentacyclo[12.7.3.18,12.02,4.015,19]pentacosane-1(22),8,10,12(25),18-pentaene-20,23-diyne-5-one
CAS registry number： 168986-50-3
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