Chem
J-GLOBAL ID：200907000753423150   Nikkaji number：J1.317.089D

Lyngbyabellin A

リングビアベリンA
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： C29H40Cl2N4O7S2
Molecular formula furigana： C29-H40-CL2-N4-O7-S2
Molecular weight： 691.680
InChI： InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t15-,18?,20-,21+/m0/s1
InChI key： VJSNPXXBMRWPEJ-SRBWVJFJSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@@H](OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)C(C)(C)O
Systematic name  (3)：
  • (9S,16S,20S)-9-[(S)-1-メチルプロピル]-16-(4,4-ジクロロペンチル)-17,17-ジメチル-20-(1-ヒドロキシ-1-メチルエチル)-3,21:13,10-ジエピニトリロ-5,8-ジアザ-15,19-ジオキサ-1,11-ジチアシクロヘニコサン-2,12-ジエン-4,7,14,18-テトラオン
  • (7S,14S,18S)-7-[(2S)-ブタン-2-イル]-14-(4,4-ジクロロペンチル)-18-(2-ヒドロキシプロパン-2-イル)-15,15-ジメチル-13,17-ジオキサ-9,20-ジチア-3,6,22,23-テトラアザトリシクロ[17.2.1.18,11]トリコサ-1(21),8(23),10,19(22)-テトラエン-2,5,12,16-テトラオン
  • (7S,14S,18S)-7-[(2S)-butan-2-yl]-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.18,11]tricosa-1(21),8(23),10,19(22)-tetraene-2,5,12,16-tetrone
Other name (4)：
  • (9S,16S,20S)-9-[(S)-1-Methylpropyl]-16-(4,4-dichloropentyl)-17,17-dimethyl-20-(1-hydroxy-1-methylethyl)-3,21:13,10-diepinitrilo-5,8-diaza-15,19-dioxa-1,11-dithiacyclohenicosane-2,12-diene-4,7,14,18-tetrone
  • リングビアベリンA
  • Lyngbyabellin A
  • リングビャベリンA
CAS registry number： 273202-85-0
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