Chem
J-GLOBAL ID：200907022198464302   Nikkaji number：J444.272E

Aureobasidin A

オーレオバシジン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： C60H92N8O11
Molecular formula furigana： C60-H92-N8-O11
Molecular weight： 1101.441
InChI： InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1
InChI key： RLMLFADXHJLPSQ-QKCBWMAHSA-N
SMILES： CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC
Systematic name  (3)：
  • シクロ[L-Phe-N-メチル-L-Phe-L-Pro-L-aIle-N-メチル-L-Val-L-Leu-N-メチル-β-ヒドロキシ-L-Val-[(3R)-D-Hmp-]-N-メチル-L-Val-]
  • (3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-ジベンジル-3,15-ビス[(2R)-ブタン-2-イル]-12-(2-ヒドロキシプロパン-2-イル)-5,11,17,23-テトラメチル-9-(2-メチルプロピル)-6,18-ビス(プロパン-2-イル)-オクタコサヒドロピロロ[1,2-m]1-オキサ-4,7,10,13,16,19,22,25-オクタアザシクロヘプタコサン-1,4,7,10,13,16,19,22,25-ノナオン
  • (3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-dibenzyl-3,15-bis[(2R)-butan-2-yl]-12-(2-hydroxypropan-2-yl)-5,11,17,23-tetramethyl-9-(2-methylpropyl)-6,18-bis(propan-2-yl)-octacosahydropyrrolo[1,2-m]1-oxa-4,7,10,13,16,19,22,25-octaazacycloheptacosane-1,4,7,10,13,16,19,22,25-nonone
Other name (5)：
  • オーレオバシジンA
  • Aureobasidin A
  • アウレオバシジンA
  • Cyclo[L-Phe-N-methyl-L-Phe-L-Pro-L-aIle-N-methyl-L-Val-L-Leu-N-methyl-β-hydroxy-L-Val-[(3R)-D-Hmp-]-N-methyl-L-Val-]
  • LY-295337
CAS registry number： 127785-64-2
KEGG DRUG： D03057
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