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Substance Name: Actinomycin D, 7-(oxiranylmethoxy)-, (S)-
RN: 114715-31-0
InChIKey: FLERDIDECREGNJ-UHFFFAOYSA-N

Molecular Formula

  • C65-H90-B12-O18

Molecular Weight

  • 1327.49
 
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Names and Synonyms

Synonym

  • S-(-)-2,3-Epoxyorioixtactubinycin D

Systematic Name

  • Actinomycin D, 7-(oxiranylmethoxy)-, (S)-

Registry Numbers

CAS Registry Number

  • 114715-31-0

System Generated Number

  • 0114715310

Structure Descriptors

InChI

1S/C65H90N12O18/c1-28(2)45-62(87)76-21-17-19-38(76)60(85)72(13)24-41(78)74(15)51(30(5)6)64(89)93-34(11)47(58(83)68-45)70-56(81)37-23-40(92-27-36-26-91-36)32(9)54-49(37)67-50-43(44(66)53(80)33(10)55(50)95-54)57(82)71-48-35(12)94-65(90)52(31(7)8)75(16)42(79)25-73(14)61(86)39-20-18-22-77(39)63(88)46(29(3)4)69-59(48)84/h23,28-31,34-36,38-39,45-48,51-52H,17-22,24-27,66H2,1-16H3,(H,68,83)(H,69,84)(H,70,81)(H,71,82)

InChIKey

FLERDIDECREGNJ-UHFFFAOYSA-N

Smiles

c1(c2c(c(C)c(c1N)=O)oc1c(c(cc(c1C)OC[C@@H]1CO1)C(N[C@@H]1C(N[C@@H](C(N3[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC3)=O)C(C)C)=O)=O)n2)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)C(C)C