Chem
J-GLOBAL ID：200907091888478308   Nikkaji number：J1.490.594D

Monamycin H1

モナマイシンH1
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： C34H56ClN7O8
Molecular formula furigana： C34-H56-CL-N7-O8
Molecular weight： 726.310
InChI： InChI=1S/C34H56ClN7O8/c1-9-20(7)28-33(48)42-25(12-21(35)14-36-42)32(47)41-26(13-22(43)15-37-41)30(45)39(8)24(10-17(2)3)31(46)40-16-19(6)11-23(40)29(44)38-27(18(4)5)34(49)50-28/h17-28,36-37,43H,9-16H2,1-8H3,(H,38,44)/t19-,20+,21+,22+,23+,24-,25-,26+,27-,28+/m1/s1
InChI key： KVDCVAANVQSQCW-OHBFXQPASA-N
SMILES： CC[C@H](C)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H]2C[C@@H](C)CN2C(=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,20R,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-20,25-ジメチル-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,15R,17S,20R,23S,28S)-23-[(2S)-ブタン-2-イル]-28-クロロ-6-ヒドロキシ-10,15-ジメチル-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,15R,17S,20R,23S,28S)-23-[(2S)-butan-2-yl]-28-chloro-6-hydroxy-10,15-dimethyl-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 (3)：
  • (2S,6aR,8S,13S,16R,18aS,20R,24R,26aS)-8-Chloro-2-hydroxy-13-[(1S)-1-methylpropyl]-16-isopropyl-20,25-dimethyl-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H1
  • Monamycin H1
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