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Substance Name: Actinomycin D, 7-((2-pyrrolylmethyl)amino)-
RN: 67230-67-5
InChIKey: JKOATCWIBNADRV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C67-H92-N14-O16

Molecular Weight

  • 1349.55
 
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Names and Synonyms

Synonyms

  • 7-(((2-Pyrrolyl)methyl)amino)-actinomycin D
  • 7-((1H-Pyrrol-2-ylmethyl)amino)actinomycin D
  • BRN 5917634

Systematic Name

  • Actinomycin D, 7-((2-pyrrolylmethyl)amino)-

Registry Numbers

CAS Registry Number

  • 67230-67-5

System Generated Number

  • 0067230675

Structure Descriptors

InChI

1S/C67H92N14O16/c1-30(2)47-64(91)80-24-18-21-41(80)62(89)76(13)28-43(82)78(15)53(32(5)6)66(93)95-36(11)49(60(87)72-47)74-58(85)39-26-40(70-27-38-20-17-23-69-38)34(9)56-51(39)71-52-45(46(68)55(84)35(10)57(52)97-56)59(86)75-50-37(12)96-67(94)54(33(7)8)79(16)44(83)29-77(14)63(90)42-22-19-25-81(42)65(92)48(31(3)4)73-61(50)88/h17,20,23,26,30-33,36-37,41-42,47-50,53-54,69-70H,18-19,21-22,24-25,27-29,68H2,1-16H3,(H,72,87)(H,73,88)(H,74,85)(H,75,86)

InChIKey

JKOATCWIBNADRV-UHFFFAOYSA-N

Smiles

[nH]1c(ccc1)CNc1c(c2c(nc3c(o2)c(c(c(c3C(N[C@@H]2C(N[C@@H](C(N3[C@@H](C(N(CC(N([C@@H](C(O[C@@H]2C)=O)C(C)C)C)=O)C)=O)CCC3)=O)C(C)C)=O)=O)N)=O)C)c(C(N[C@@H]2C(N[C@@H](C(N3[C@@H](C(N(CC(N([C@@H](C(C)C)C(=O)O[C@@H]2C)C)=O)C)=O)CCC3)=O)C(C)C)=O)=O)c1)C