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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-, methyl ester, (1R-(1R*(S*),5R*,10Z,12E,15S*,16S*,17R*))-
RN: 190774-62-0
InChIKey: YXLDPFSNJISUHI-MMEOVKSWSA-N

Molecular Formula

  • C23-H30-N2-O7-S2

Molecular Weight

  • 510.629
 
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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-, methyl ester, (1R-(1R*(S*),5R*,10Z,12E,15S*,16S*,17R*))-

Registry Numbers

CAS Registry Number

  • 190774-62-0

System Generated Number

  • 0190774620

Structure Descriptors

InChI

1S/C23H30N2O7S2/c1-13-19-25-14(12-33-19)7-5-6-8-15(26)17(28)18-21(2,30)9-10-23(34-18,11-16(27)24-13)22(3,31)20(29)32-4/h5-8,12-13,17-18,28,30-31H,9-11H2,1-4H3,(H,24,27)/b7-5-,8-6+/t13-,17+,18+,21-,22+,23-/m1/s1

InChIKey

YXLDPFSNJISUHI-MMEOVKSWSA-N

Smiles

C[C@@]([C@]12S[C@H]([C@@](CC2)(O)C)[C@H](C(C=CC=Cc2csc([C@H](NC(C1)=O)C)n2)=O)O)(C(OC)=O)O