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Substance Name: Actinomycin D, 2A-D-leucine-
RN: 19864-70-1
InChIKey: CKFXYIRFWMZDNE-UHFFFAOYSA-N

Molecular Formula

  • C63-H88-N12-O16

Molecular Weight

  • 1269.46
 
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Names and Synonyms

  • Actinomycin D, 2A-D-leucine-

Registry Numbers

CAS Registry Number

  • 19864-70-1

System Generated Number

  • 0019864701

Structure Descriptors

InChI

1S/C63H88N12O16/c1-28(2)25-37-58(83)74-23-17-19-38(74)59(84)70(13)26-40(76)72(15)49(30(5)6)62(87)89-34(11)45(56(81)65-37)69-55(80)42-43(64)51(78)33(10)53-48(42)66-47-36(22-21-32(9)52(47)91-53)54(79)68-46-35(12)90-63(88)50(31(7)8)73(16)41(77)27-71(14)60(85)39-20-18-24-75(39)61(86)44(29(3)4)67-57(46)82/h21-22,28-31,34-35,37-39,44-46,49-50H,17-20,23-27,64H2,1-16H3,(H,65,81)(H,67,82)(H,68,79)(H,69,80)

InChIKey

CKFXYIRFWMZDNE-UHFFFAOYSA-N

Smiles

c1(c2nc3c(oc2c(C)c(c1N)=O)c(ccc3C(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)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)CC(C)C