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Substance Name: 3,10-Dihydroactinomycin D 3-methyloxazinone
RN: 6056-00-4
InChIKey: PSODHWOVRHSCFX-UHFFFAOYSA-N

Molecular Formula

  • C65-H88-N12-O17

Molecular Weight

  • 1309.48
 
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Names and Synonyms

Results Name

  • 3,10-Dihydroactinomycin D 3-methyloxazinone

Synonyms

  • 3,10-Dihydroactinomycin D 3-methyloxazinone
  • N,N'-Bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetraazacyclohexadecin-10-yl)-3,10,12-trimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxamide stereoisomer

Systematic Name

  • 2H,6H-1,4-Oxazino(3,2-b)phenoxazine-5,7-dicarboxamide, N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetraazacyclohexadecin-10-yl)-3,10,12-trimethyl-2-oxo-, stereoisomer

Registry Numbers

CAS Registry Number

  • 6056-00-4

System Generated Number

  • 0006056004

Structure Descriptors

InChI

1S/C65H88N12O17/c1-28(2)43-61(86)76-24-18-20-38(76)59(84)72(14)26-40(78)74(16)50(30(5)6)64(89)91-35(12)45(57(82)68-43)70-55(80)37-23-22-32(9)52-47(37)67-49-42(48-54(33(10)53(49)93-52)94-63(88)34(11)66-48)56(81)71-46-36(13)92-65(90)51(31(7)8)75(17)41(79)27-73(15)60(85)39-21-19-25-77(39)62(87)44(29(3)4)69-58(46)83/h22-23,28-31,35-36,38-39,43-46,50-51,54H,18-21,24-27H2,1-17H3,(H,68,82)(H,69,83)(H,70,80)(H,71,81)

InChIKey

PSODHWOVRHSCFX-UHFFFAOYSA-N

Smiles

CC=1C(=O)O[C@@H]2C(=C3Oc4c(C)ccc(c4N=C3C(=C2N1)C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC2)=O)C(C)C)=O)=O)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C)C