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Substance Name: Actinomycin D, 7-((phenylmethyl)amino)-
RN: 64604-59-7
InChIKey: FILMNGQLMJPOGD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C69-H93-N13-O16

Molecular Weight

  • 1360.57
 
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Names and Synonyms

Synonyms

  • 7-((Phenylmethyl)amino)actinomycin D
  • 7-(Benzylamino)actinomycin D
  • BRN 5387638

Systematic Name

  • Actinomycin D, 7-((phenylmethyl)amino)-

Registry Numbers

CAS Registry Number

  • 64604-59-7

System Generated Number

  • 0064604597

Structure Descriptors

InChI

1S/C69H93N13O16/c1-32(2)49-66(92)81-26-20-24-43(81)64(90)77(13)30-45(83)79(15)55(34(5)6)68(94)96-38(11)51(62(88)73-49)75-60(86)41-28-42(71-29-40-22-18-17-19-23-40)36(9)58-53(41)72-54-47(48(70)57(85)37(10)59(54)98-58)61(87)76-52-39(12)97-69(95)56(35(7)8)80(16)46(84)31-78(14)65(91)44-25-21-27-82(44)67(93)50(33(3)4)74-63(52)89/h17-19,22-23,28,32-35,38-39,43-44,49-52,55-56,71H,20-21,24-27,29-31,70H2,1-16H3,(H,73,88)(H,74,89)(H,75,86)(H,76,87)

InChIKey

FILMNGQLMJPOGD-UHFFFAOYSA-N

Smiles

O1[C@@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N(C)[C@@H](C1=O)C(C)C)NC(=O)c1c2c(c(C)c(c1)NCc1ccccc1)oc1c(c(c(c(c1n2)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)N)=O)C