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Substance Name: 3,10-Dihydroactinomycin D 3-phenyloxazinone
RN: 70570-56-8
InChIKey: VGEQFUNTHQCTFN-AISCGCKQSA-N

Molecular Formula

  • C70-H90-N12-O17

Molecular Weight

  • 1371.55
 
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Names and Synonyms

Results Name

  • 3,10-Dihydroactinomycin D 3-phenyloxazinone

Synonyms

  • 3,10-Dihydroactinomycin D 3-phenyloxazinone
  • NSC 339281

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70570-56-8

System Generated Number

  • 0070570568

Structure Descriptors

InChI

1S/C70H90N12O17/c1-32(2)47-66(91)81-28-20-24-42(81)64(89)77(13)30-44(83)79(15)55(34(5)6)69(94)96-38(11)49(62(87)73-47)75-60(85)41-27-26-36(9)57-52(41)72-53-46(54-59(37(10)58(53)98-57)99-68(93)51(71-54)40-22-18-17-19-23-40)61(86)76-50-39(12)97-70(95)56(35(7)8)80(16)45(84)31-78(14)65(90)43-25-21-29-82(43)67(92)48(33(3)4)74-63(50)88/h17-19,22-23,26-27,32-35,38-39,42-43,47-50,55-56,72H,20-21,24-25,28-31H2,1-16H3,(H,73,87)(H,74,88)(H,75,85)(H,76,86)/t38-,39-,42+,43+,47+,48+,49+,50+,55-,56-/m1/s1

InChIKey

VGEQFUNTHQCTFN-AISCGCKQSA-N

Smiles

c1(c2nc(c(=O)oc2c(C)c2c1Nc1c(C(N[C@@H]3C(N[C@H](C(N4[C@H](C(=O)N(CC(N([C@@H](C(O[C@@H]3C)=O)C(C)C)C)=O)C)CCC4)=O)C(C)C)=O)=O)ccc(c1O2)C)c1ccccc1)C(N[C@@H]1C(N[C@H](C(N2[C@H](C(=O)N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)CCC2)=O)C(C)C)=O)=O