Chem
J-GLOBAL ID：200907075511287014   Nikkaji number：J324.320F

Lissoclinamide 5

リッソクリナミド5
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： C38H41N7O5S2
Molecular formula furigana： C38-H41-N7-O5-S2
Molecular weight： 739.910
InChI： InChI=1S/C38H41N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,19-22,25-26,29-31H,10,15-18H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25+,26+,29+,30-,31+/m1/s1
InChI key： XWRRCRXUEXAWCD-LNDBFWQFSA-N
SMILES： CC(C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2
Systematic name  (3)：
  • (7R,14S)-14-デメチル-7-デ(1-メチルプロピル)-14-フェニルメチル-7-(1-メチルエチル)ウリシクラミド
  • (2S,8S,15S,22R,25S,26R)-8,15-ジベンジル-26-メチル-22-(プロパン-2-イル)-27-オキサ-13,20-ジチア-6,9,16,23,28,29,30-ヘプタアザペンタシクロ[23.2.1.111,14.118,21.02,6]トリアコンタ-1(28),11,14(30),18,21(29)-ペンタエン-7,10,17,24-テトラオン
  • (2S,8S,15S,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-(propan-2-yl)-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),18,21(29)-pentaene-7,10,17,24-tetrone
Other name (3)：
  • リッソクリナミド5
  • Lissoclinamide 5
  • (7R,14S)-14-Demethyl-7-de(1-methylpropyl)-14-phenylmethyl-7-(1-methylethyl)ulicyclamide
CAS registry number： 120853-17-0
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