Chem
J-GLOBAL ID：200907073145868162   Nikkaji number：J957.574J

Lissoclinamide 3

リッソクリナミド3
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： C33H41N7O5S2
Molecular formula furigana： C33-H41-N7-O5-S2
Molecular weight： 679.860
InChI： InChI=1S/C33H41N7O5S2/c1-5-17(2)25-32-37-22(16-47-32)27(41)34-18(3)31-36-23(15-46-31)28(42)35-21(14-20-10-7-6-8-11-20)33(44)40-13-9-12-24(40)30-39-26(19(4)45-30)29(43)38-25/h6-8,10-11,15,17-19,21-22,24-26H,5,9,12-14,16H2,1-4H3,(H,34,41)(H,35,42)(H,38,43)/t17-,18-,19+,21-,22-,24-,25+,26-/m0/s1
InChI key： MXZCBFXSFNFJTR-SHHIZWJCSA-N
SMILES： CC[C@H](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](C)NC(=O)[C@@H]2CSC1=N2
Systematic name  (3)：
  • (7R,11R,14S)-10,11-ジヒドロウリシクラミド
  • (2S,8S,15S,18R,22R,25S,26R)-8-ベンジル-22-[(2S)-ブタン-2-イル]-15,26-ジメチル-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),21(29)-テトラエン-7,10,17,24-テトラオン
  • (2S,8S,15S,18R,22R,25S,26R)-8-benzyl-22-[(2S)-butan-2-yl]-15,26-dimethyl-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),21(29)-tetraene-7,10,17,24-tetrone
Other name (3)：
  • (7R,11R,14S)-10,11-Dihydroulicyclamide
  • リッソクリナミド3
  • Lissoclinamide 3
CAS registry number： 121209-52-7
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