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Substance Name: Dynemicin S
RN: 132645-97-7
InChIKey: AWGXXXUYJPWDHA-RGHGZZGCSA-N

Molecular Formula

  • C33-H27-N-O11-S

Molecular Weight

  • 645.6383
 
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Names and Synonyms

Name of Substance

  • Dynemicin S

Systematic Name

  • 9,8,14-(1)Buten(1)yl(4)ylideneanthra(1,2-b)benz(f)azocine-19-carboxylic acid, 5,8,9,14,15,16-hexahydro-1,4,6,17-tetrahydroxy-20-methoxy-8-((2-methoxy-2-oxoethyl)thio)-18-methyl-5,16-dioxo-, (8R-(6alpha,9beta,14beta,17R*,18S*))-

Registry Numbers

CAS Registry Number

  • 132645-97-7

System Generated Number

  • 0132645977

Structure Descriptors

InChI

1S/C33H27NO11S/c1-12-20(31(41)42)29(45-3)25-13-6-4-5-7-14(13)30-32(12,43)33(25,46-11-19(38)44-2)15-10-18(37)23-24(26(15)34-30)28(40)22-17(36)9-8-16(35)21(22)27(23)39/h4-10,12,25,30,34-37,43H,11H2,1-3H3,(H,41,42)/t12-,25-,30-,32+,33-/m0/s1

InChIKey

AWGXXXUYJPWDHA-RGHGZZGCSA-N

Smiles

C[C@H]1C(=C([C@@H]2c3ccccc3[C@H]4[C@]1([C@@]2(c5cc(c6c(c5N4)C(=O)c7c(ccc(c7C6=O)O)O)O)SCC(=O)OC)O)OC)C(=O)O