Chem
J-GLOBAL ID：200907098442638241   Nikkaji number：J2.466.295K

Emodepside

エモデプシド
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： C60H90N6O14
Molecular formula furigana： C60-H90-N6-O14
Molecular weight： 1119.408
InChI： InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1
InChI key： ZMQMTKVVAMWKNY-YSXLEBCMSA-N
SMILES： CC(C)C[C@@H]1N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC1=O
Systematic name  (4)：
  • (3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-テトライソブチル-4,6,10,16,18,22-ヘキサメチル-12,24-ビス(4-モルホリノベンジル)-1,7,13,19-テトラオキサ-4,10,16,22-テトラアザシクロテトラコサン-2,5,8,11,14,17,20,23-オクタオン
  • シクロ[D-Lac-N-メチル-L-Leu-3-(4-モルホリノフェニル)-D-Lac-N-メチル-L-Leu-D-Lac-N-メチル-L-Leu-3-(4-モルホリノフェニル)-D-Lac-N-メチル-L-Leu-]
  • (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-ヘキサメチル-3,9,15,21-テトラキス(2-メチルプロピル)-12,24-ビス({[4-(モルホリン-4-イル)フェニル]メチル})-1,7,13,19-テトラオキサ-4,10,16,22-テトラアザシクロテトラコサン-2,5,8,11,14,17,20,23-オクタオン
  • (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis({[4-(morpholin-4-yl)phenyl]methyl})-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone
Other name (5)：
  • (3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis(4-morpholinobenzyl)-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octaone
  • エモデプシド
  • Emodepside
  • PF-1022-221
  • Cyclo[D-Lac-N-methyl-L-Leu-3-(4-morpholinophenyl)-D-Lac-N-methyl-L-Leu-D-Lac-N-methyl-L-Leu-3-(4-morpholinophenyl)-D-Lac-N-methyl-L-Leu-]
CAS registry number： 155030-63-0
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