Chem
J-GLOBAL ID：200907005020794927   Nikkaji number：J19.316J

Amphibine B

アンフィビンB
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： C39H47N5O5
Molecular formula furigana： C39-H47-N5-O5
Molecular weight： 665.835
InChI： InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)
InChI key： BZXBQQGSSIQELG-UHFFFAOYSA-N
SMILES： CCC(C)C(NC(=O)C(Cc1ccccc1)N(C)C)C(=O)N1CCC2Oc3ccc(cc3)C=CNC(=O)C(Cc3ccccc3)NC(=O)C12
Systematic name  (3)：
  • α-(ジメチルアミノ)-N-[2-メチル-1-[[3,3a,11,12,13,14,15,15a-オクタヒドロ-12,15-ジオキソ-13-ベンジル-5,8-エテノピロロ[3,2-b][1,5,8]オキサジアザシクロテトラデシン-1(2H)-イル]カルボニル]ブチル]ベンゼンプロパンアミド
  • N-(1-{10-ベンジル-8,11-ジオキソ-2-オキサ-6,9,12-トリアザトリシクロ[13.2.2.03,7]ノナデカ-1(17),13,15,18-テトラエン-6-イル}-3-メチル-1-オキソペンタン-2-イル)-2-(ジメチルアミノ)-3-フェニルプロパンアミド
  • N-(1-{10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-3-phenylpropanamide
Other name (3)：
  • アンフィビンB
  • Amphibine B
  • α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
CAS registry number： 38541-74-1
KEGG COMPOUND： C09998
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