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Substance Name: Actinomycin D, N-undecyl-
RN: 78542-40-2
InChIKey: CGKQCUQQZUTWEE-UHFFFAOYSA-N

Molecular Formula

  • C73-H108-N12-O16

Molecular Weight

  • 1409.72
 
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Names and Synonyms

Synonym

  • N-Undecylactinomycin D

Systematic Name

  • Actinomycin D, N-undecyl-

Registry Numbers

CAS Registry Number

  • 78542-40-2

System Generated Number

  • 0078542402

Structure Descriptors

InChI

1S/C73H108N12O16/c1-18-19-20-21-22-23-24-25-26-33-74-57-51(65(90)79-55-45(13)100-73(98)60(41(8)9)83(17)50(87)37-81(15)69(94)48-30-28-35-85(48)71(96)53(39(4)5)77-67(55)92)58-63(43(11)61(57)88)101-62-42(10)31-32-46(56(62)75-58)64(89)78-54-44(12)99-72(97)59(40(6)7)82(16)49(86)36-80(14)68(93)47-29-27-34-84(47)70(95)52(38(2)3)76-66(54)91/h31-32,38-41,44-45,47-48,52-55,59-60,74H,18-30,33-37H2,1-17H3,(H,76,91)(H,77,92)(H,78,89)(H,79,90)

InChIKey

CGKQCUQQZUTWEE-UHFFFAOYSA-N

Smiles

C1(=O)O[C@@H](C)[C@@H](C(N[C@@H](C(N2[C@@H](CCC2)C(N(CC(N([C@@H]1C(C)C)C)=O)C)=O)=O)C(C)C)=O)NC(c1c2nc3c(oc2c(c(c1NCCCCCCCCCCC)=O)C)c(ccc3C(N[C@@H]1[C@@H](OC([C@@H](N(C(CN(C(=O)[C@@H]2N(C([C@@H](C(C)C)NC1=O)=O)CCC2)C)=O)C)C(C)C)=O)C)=O)C)=O