Chem
J-GLOBAL ID：200907085612334639   Nikkaji number：J2.771.463C

Canthiumine

カンチウミン
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： C33H36N4O4
Molecular formula furigana： C33-H36-N4-O4
Molecular weight： 552.675
InChI： InChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/t27-,28-,29-,30+/m0/s1
InChI key： DTRFQNPOYWLHOU-GCXHJFECSA-N
SMILES： CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)C=CNC(=O)[C@@H]2CCCN2C1=O)c1ccccc1
Systematic name  (3)：
  • (αS)-α-(ジメチルアミノ)-N-[(10R,11S,16aS)-1,2,11,12,14,15,16,16a-オクタヒドロ-1,12-ジオキソ-10-フェニル-5,8-エテノ-10H-ピロロ[1,2-e][1,5,8]オキサジアザシクロテトラデシン-11-イル]ベンゼンプロパンアミド
  • (2S)-2-(ジメチルアミノ)-N-[(3R,4S,10S)-5,11-ジオキソ-3-フェニル-2-オキサ-6,12-ジアザトリシクロ[13.2.2.06,10]ノナデカ-1(17),13,15,18-テトラエン-4-イル]-3-フェニルプロパンアミド
  • (2S)-2-(dimethylamino)-N-[(3R,4S,10S)-5,11-dioxo-3-phenyl-2-oxa-6,12-diazatricyclo[13.2.2.06,10]nonadeca-1(17),13,15,18-tetraen-4-yl]-3-phenylpropanamide
Other name (3)：
  • (αS)-α-(Dimethylamino)-N-[(10R,11S,16aS)-1,2,11,12,14,15,16,16a-octahydro-1,12-dioxo-10-phenyl-5,8-etheno-10H-pyrrolo[1,2-e][1,5,8]oxadiazacyclotetradecine-11-yl]benzenepropanamide
  • Canthiumine
  • カンチウミン
CAS registry number： 26195-90-4
KEGG COMPOUND： C10000
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM