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Substance Name: 3,10-Dihydroactinomycin D 3-carboxymethyloxazinone
RN: 70815-69-9
InChIKey: WRJKIROZLBIDSO-UHFFFAOYSA-N

Molecular Formula

  • C66-H88-N12-O19

Molecular Weight

  • 1353.49
 
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Names and Synonyms

Results Name

  • 3,10-Dihydroactinomycin D 3-carboxymethyloxazinone

Synonym

  • 3,10-Dihydroactinomycin D 3-carboxymethyloxazinone

Systematic Name

  • L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, (1->5),(1'->7)-diamide with 3-(carboxymethyl)-10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylicacid 10,5,5

Registry Numbers

CAS Registry Number

  • 70815-69-9

System Generated Number

  • 0070815699

Structure Descriptors

InChI

1S/C66H88N12O19/c1-28(2)44-62(89)77-23-17-19-38(77)60(87)73(13)26-40(79)75(15)51(30(5)6)65(92)94-34(11)46(58(85)69-44)71-56(83)36-22-21-32(9)53-48(36)68-50-43(49-55(33(10)54(50)96-53)97-64(91)37(67-49)25-42(81)82)57(84)72-47-35(12)95-66(93)52(31(7)8)76(16)41(80)27-74(14)61(88)39-20-18-24-78(39)63(90)45(29(3)4)70-59(47)86/h21-22,28-31,34-35,38-39,44-47,51-52,68H,17-20,23-27H2,1-16H3,(H,69,85)(H,70,86)(H,71,83)(H,72,84)(H,81,82)

InChIKey

WRJKIROZLBIDSO-UHFFFAOYSA-N

Smiles

C(C(O)=O)c1c(oc2c(C)c3c(c(C(=O)N[C@@H]4C(=O)N[C@@H](C(N5[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]4C)C)=O)=O)CCC5)=O)C(C)C)c2n1)Nc1c(ccc(c1O3)C)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)=O