Chem
J-GLOBAL ID：200907094352672291   Nikkaji number：J651.137F

Ustiloxin D

ウスチロキシンD
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： C23H34N4O8
Molecular formula furigana： C23-H34-N4-O8
Molecular weight： 494.545
InChI： InChI=1S/C23H34N4O8/c1-6-23(4)19(22(34)25-10-15(29)30)27-20(32)16(11(2)3)26-21(33)17(24-5)18(31)12-7-8-13(28)14(9-12)35-23/h7-9,11,16-19,24,28,31H,6,10H2,1-5H3,(H,25,34)(H,26,33)(H,27,32)(H,29,30)/t16-,17?,18+,19+,23+/m0/s1
InChI key： GDXLZSYACWZHOC-JTEDLGPLSA-N
SMILES： CC[C@@]1(C)Oc2cc(ccc2O)[C@@H](O)C(NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O
Systematic name  (3)：
  • N-[[[(3R,4S,7S,10S,11R)-3-エチル-7-イソプロピル-11,15-ジヒドロキシ-6,9-ジオキソ-3-メチル-10-(メチルアミノ)-5,8-ジアザ-2-オキサビシクロ[10.3.1]ヘキサデカ-1(16),12,14-トリエン]-4-イル]カルボニル]グリシン
  • 2-{[(3R,4S,7S,10S,11R)-3-エチル-11,15-ジヒドロキシ-3-メチル-10-(メチルアミノ)-6,9-ジオキソ-7-(プロパン-2-イル)-2-オキサ-5,8-ジアザビシクロ[10.3.1]ヘキサデカ-1(16),12,14-トリエン-4-イル]ホルムアミド}酢酸
  • 2-{[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-(propan-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetic acid
Other name (3)：
  • ウスチロキシンD
  • Ustiloxin D
  • N-[[[(3R,4S,7S,10S,11R)-3-Ethyl-7-isopropyl-11,15-dihydroxy-6,9-dioxo-3-methyl-10-(methylamino)-5,8-diaza-2-oxabicyclo[10.3.1]hexadeca-1(16),12,14-trien]-4-yl]carbonyl]glycine
CAS registry number： 158243-18-6
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