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Substance Name: Actinomycin D, 2-deamino-
RN: 10118-32-8
InChIKey: ZOWMRHVAQGTFTG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C62-H85-N11-O16

Molecular Weight

  • 1240.41
 
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Names and Synonyms

Synonyms

  • 2-Deaminoactinomycin D
  • Actinomycin D, 2-deamino-
  • NSC 224134

Systematic Name

  • Actinomycin D, 2-deamino-

Registry Numbers

CAS Registry Number

  • 10118-32-8

System Generated Number

  • 0010118328

Structure Descriptors

InChI

1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)

InChIKey

ZOWMRHVAQGTFTG-UHFFFAOYSA-N

Smiles

c12c(ccc(C)c1oc1c(c(cc(C(N[C@@H]3[C@@H](C)OC(=O)[C@@H](N(C(CN(C([C@@H]4N(C([C@@H](C(C)C)NC3=O)=O)CCC4)=O)C)=O)C)C(C)C)=O)c1n2)=O)C)C(N[C@@H]1[C@@H](OC([C@@H](N(C(CN(C([C@@H]2N(C([C@@H](NC1=O)C(C)C)=O)CCC2)=O)C)=O)C)C(C)C)=O)C)=O