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Substance Name: 7,20-Dithia-4,21-diazatricyclo(14.3.1.16,9)heneicosa-6(21),8,10,12-tetraene-1-acetic acid, alpha,15,17-trihydroxy-alpha,5,17-trimethyl-3,14-dioxo-, (alphaS,1R,5R,10Z,12E,15S,16S,17R)-
RN: 178943-64-1
InChIKey: FTPLLAAHGQZGSB-GNRCQJCNSA-N

Molecular Formula

  • C22-H28-N2-O7-S2

Molecular Weight

  • 496.602
 
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Names and Synonyms

  • 7,20-Dithia-4,21-diazatricyclo(14.3.1.16,9)heneicosa-6(21),8,10,12-tetraene-1-acetic acid, alpha,15,17-trihydroxy-alpha,5,17-trimethyl-3,14-dioxo-, (alphaS,1R,5R,10Z,12E,15S,16S,17R)-

Registry Numbers

CAS Registry Number

  • 178943-64-1

System Generated Number

  • 0178943641

Structure Descriptors

InChI

1S/C22H28N2O7S2/c1-12-18-24-13(11-32-18)6-4-5-7-14(25)16(27)17-20(2,30)8-9-22(33-17,10-15(26)23-12)21(3,31)19(28)29/h4-7,11-12,16-17,27,30-31H,8-10H2,1-3H3,(H,23,26)(H,28,29)/b6-4-,7-5+/t12-,16+,17+,20-,21+,22-/m1/s1

InChIKey

FTPLLAAHGQZGSB-GNRCQJCNSA-N

Smiles

C[C@@]([C@@]12CC(N[C@@H](c3scc(n3)C=CC=CC([C@@H]([C@H]([C@@](CC2)(O)C)S1)O)=O)C)=O)(C(O)=O)O