Chem
J-GLOBAL ID：200907088275308760   Nikkaji number：J1.445.013K

Monamycin G3

モナマイシンG3
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： C33H54ClN7O8
Molecular formula furigana： C33-H54-CL-N7-O8
Molecular weight： 712.290
InChI： InChI=1S/C33H54ClN7O8/c1-8-19(6)27-32(47)41-24(13-20(34)15-35-41)31(46)40-25(14-21(42)16-36-40)29(44)38(7)23(12-17(2)3)30(45)39-11-9-10-22(39)28(43)37-26(18(4)5)33(48)49-27/h17-27,35-36,42H,8-16H2,1-7H3,(H,37,43)/t19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
InChI key： RGEOEFCRRAHVGP-HKSHWASDSA-N
SMILES： CC[C@H](C)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2C[C@H](O)CNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O)C(C)C
Systematic name  (3)：
  • (2S,6aR,8S,13S,16R,18aS,24R,26aS)-8-クロロ-2-ヒドロキシ-13-[(1S)-1-メチルプロピル]-16-イソプロピル-25-メチル-24-イソブチル1,3,4,7,8,9,10,18a,19,20,21,26a-ドデカヒドロ-2H-ジピリダジノ[1,6-d:1′,6′-g]ピロロ[1,2-m][1,4,7,10,13,16]オキサペンタアザシクロオクタデシン-6,12,15,18,23,26(6aH,13H,16H,17H,24H,25H)-ヘキサオン
  • (1R,6S,8S,11R,17S,20R,23S,28S)-23-[(2S)-ブタン-2-イル]-28-クロロ-6-ヒドロキシ-10-メチル-11-(2-メチルプロピル)-20-(プロパン-2-イル)-22-オキサ-3,4,10,13,19,25,26-ヘプタアザテトラシクロ[23.4.0.03,8.013,17]ノナコサン-2,9,12,18,21,24-ヘキサオン
  • (1R,6S,8S,11R,17S,20R,23S,28S)-23-[(2S)-butan-2-yl]-28-chloro-6-hydroxy-10-methyl-11-(2-methylpropyl)-20-(propan-2-yl)-22-oxa-3,4,10,13,19,25,26-heptaazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Other name (5)：
  • (2S,6aR,8S,13S,16R,18aS,24R,26aS)-8-Chloro-2-hydroxy-13-[(1S)-1-methylpropyl]-16-isopropyl-25-methyl-24-isobutyl 1,3,4,7,8,9,10,18a,19,20,21,26a-dodecahydro-2H-dipyridazino[1,6-d:1′,6′-g]pyrrolo[1,2-m][1,4,7,10,13,16]oxapentaazacyclooctadecine-6,12,15,18,23,26(6aH,13H,16H,17H,24H,25H)-hexone
  • モナマイシンG3
  • Monamycin G3
  • モナマイシンG3
  • Monamycin G3
CAS registry number： 31556-82-8
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