Chem
J-GLOBAL ID：200907036605745550   Nikkaji number：J33.129E

Azamulin

アザムリン
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： C24H38N4O4S
Molecular formula furigana： C24-H38-N4-O4-S
Molecular weight： 478.650
InChI： InChI=1S/C24H38N4O4S/c1-6-22(4)11-16(32-17(30)12-33-21-26-20(25)27-28-21)23(5)13(2)7-9-24(14(3)19(22)31)10-8-15(29)18(23)24/h13-14,16,18-19,31H,6-12H2,1-5H3,(H3,25,26,27,28)/t13-,14+,16-,18+,19+,22-,23+,24+/m1/s1
InChI key： FMHQJXGMLMSMLC-WBUYAQKGSA-N
SMILES： CC[C@]1(C)C[C@@H](OC(=O)CSc2n[nH]c(N)n2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O
Systematic name  (3)：
  • [(5-アミノ-1H-1,2,4-トリアゾール-3-イル)チオ]酢酸(3aS,4R,5S,6R,8R,9R,9aR,10R)-6-エチルデカヒドロ-5-ヒドロキシ-4,6,9,10-テトラメチル-1-オキソ-3a,9-プロパノ-3aH-シクロペンタシクロオクテン-8-イル
  • (1S,2R,3S,4R,6R,7R,8R,14R)-4-エチル-3-ヒドロキシ-2,4,7,14-テトラメチル-9-オキソトリシクロ[5.4.3.01,8]テトラデカン-6-イル 2-[(5-アミノ-1H-1,2,4-トリアゾール-3-イル)スルファニル]アセタート
  • (1S,2R,3S,4R,6R,7R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.01,8]tetradecan-6-yl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Other name (3)：
  • アザムリン
  • Azamulin
  • [(5-Amino-1H-1,2,4-triazol-3-yl)thio]acetic acid (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
CAS registry number： 76530-44-4
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