Chem
J-GLOBAL ID:200907025173704693   Nikkaji number:J93.372D

Actinomycin Au6b

アクチノマイシンAu6b
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: C64H90N12O16
Molecular formula furigana: C64-H90-N12-O16
Molecular weight: 1283.492
InChI: InChI=1S/C64H90N12O16/c1-17-32(8)45-62(87)76-25-19-21-40(76)61(86)72(14)28-42(78)74(16)51(31(6)7)64(89)91-36(12)47(58(83)68-45)70-56(81)43-44(65)52(79)34(10)54-49(43)67-48-37(23-22-33(9)53(48)92-54)55(80)69-46-35(11)90-63(88)50(30(4)5)73(15)41(77)27-71(13)60(85)39-20-18-24-75(39)59(84)38(26-29(2)3)66-57(46)82/h22-23,29-32,35-36,38-40,45-47,50-51H,17-21,24-28,65H2,1-16H3,(H,66,82)(H,68,83)(H,69,80)(H,70,81)/t32?,35?,36?,38-,39+,40+,45-,46+,47+,50-,51-/m1/s1
InChI key: AJOMZCFRTKDCIB-MZUZXENBSA-N
SMILES: CCC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2c(N)c(=O)c(C)c3oc4c(C)ccc(C(=O)N[C@H]5C(C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](CC(C)C)NC5=O)c4nc23)C(C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
Systematic name  (3):
  • N-[(1S,4R,7S,13R)-4-(ブタン-2-イル)-13-イソプロピル-9,12,16-トリメチル-6,7-(1,3-プロパンジイル)-2,5,8,11,14-ペンタオキソ-3,6,9,12-テトラアザ-15-オキサシクロヘキサデカン-1-イル]-N′-[(1S,4R,7S,13R)-4-(2-メチルプロピル)-13-イソプロピル-9,12,16-トリメチル-6,7-(1,3-プロパンジイル)-2,5,8,11,14-ペンタオキソ-3,6,9,12-テトラアザ-15-オキサシクロヘキサデカン-1-イル]-2-アミノ-4,6-ジメチル-3-オキソ-3H-フェノキサジン-1,9-ジカルボアミド
  • N1-[(6R,10S,13R,18aS)-13-(ブタン-2-イル)-2,5,9-トリメチル-1,4,7,11,14-ペンタオキソ-6-(プロパン-2-イル)-ヘキサデカヒドロ-1H-ピロロ[2,1-i]1-オキサ-4,7,10,13-テトラアザシクロヘキサデカン-10-イル]-N9-[(6R,10S,13R,18aS)-2,5,9-トリメチル-13-(2-メチルプロピル)-1,4,7,11,14-ペンタオキソ-6-(プロパン-2-イル)-ヘキサデカヒドロ-1H-ピロロ[2,1-i]1-オキサ-4,7,10,13-テトラアザシクロヘキサデカン-10-イル]-2-アミノ-4,6-ジメチル-3-オキソ-3H-フェノキサジン-1,9-ジカルボキサミド
  • N1-[(6R,10S,13R,18aS)-13-(butan-2-yl)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6-(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-N9-[(6R,10S,13R,18aS)-2,5,9-trimethyl-13-(2-methylpropyl)-1,4,7,11,14-pentaoxo-6-(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
Other name (5):
  • Actinomycin Au6b
  • アクチノマイシンAu6b
  • Actinocinedioyl[cyclo(L-Thr*-D-aIle-L-Pro-N-methyl Gly-N-methyl-D-Val-)]cyclo(L-Thr*-D-Leu-L-Pro-N-methyl Gly-N-methyl-D-Val-)
  • アクチノシンジオイル[シクロ(L-Thr*-D-aIle-L-Pro-N-メチルGly-N-メチル-D-Val-)]シクロ(L-Thr*-D-Leu-L-Pro-N-メチルGly-N-メチル-D-Val-)
  • N-[(1S,4R,7S,13R)-4-(Butane-2-yl)-13-isopropyl-9,12,16-trimethyl-6,7-(1,3-propanediyl)-2,5,8,11,14-pentaoxo-3,6,9,12-tetraaza-15-oxacyclohexadecane-1-yl]-N′-[(1S,4R,7S,13R)-4-(2-methylpropyl)-13-isopropyl-9,12,16-trimethyl-6,7-(1,3-propanediyl)-2,5,8,11,14-pentaoxo-3,6,9,12-tetraaza-15-oxacyclohexadecane-1-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
CAS registry number: 31516-90-2
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