Chem
J-GLOBAL ID：200907015706998486   Nikkaji number：J221.812G

Lissoclinamide 2

リッソクリナミド2
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+/m1/s1
InChI key： MXZCBFXSFNFJTR-DHTVKBALSA-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  (4)：
  • [3R,4S,7R,11R,14R,21S,26aS]-6,7,10,11,13,14,20,21,24,25,26,26a-ドデカヒドロ-3,14-ジメチル-7-[(R)-1-メチルプロピル]-21-フェニルメチル-3H,12H-4,1:11,8:18,15-トリエピニトリロ-1H-ピロロ[2,1-c][1,11,18,4,7,14,21]オキサジチアテトラアザシクロテトラコシン-5,12,19,22(4H)-テトラオン
  • (7R,11R,32R)-10,11-ジヒドロウリシクラミド
  • (2S,8S,15R,18R,22R,25S,26R)-8-ベンジル-22-[(2R)-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,15R,18R,22R,25S,26R)-8-benzyl-22-[(2R)-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 (4)：
  • [3R,4S,7R,11R,14R,21S,26aS]-6,7,10,11,13,14,20,21,24,25,26,26a-Dodecahydro-3,14-dimethyl-7-[(R)-1-methylpropyl]-21-phenylmethyl-3H,12H-4,1:11,8:18,15-triepinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotetracosine-5,12,19,22(4H)-tetrone
  • (7R,11R,32R)-10,11-Dihydroulicyclamide
  • リッソクリナミド2
  • Lissoclinamide 2
CAS registry number： 87393-58-6
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