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Substance Name: 3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-
RN: 178943-66-3
InChIKey: ULBOFWKGFJYXHA-QULUKCDVSA-N

Molecular Formula

  • C22-H26-N2-O6-S2

Molecular Weight

  • 478.587
 
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Names and Synonyms

  • 3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-

Registry Numbers

CAS Registry Number

  • 178943-66-3

System Generated Number

  • 0178943663

Structure Descriptors

InChI

1S/C22H26N2O6S2/c1-12-18-24-13(11-31-18)6-4-5-7-14(25)16-17(30-16)20(2)8-9-22(32-20,10-15(26)23-12)21(3,29)19(27)28/h4-7,11-12,16-17,29H,8-10H2,1-3H3,(H,23,26)(H,27,28)/b6-4-,7-5+/t12-,16+,17-,20+,21+,22-/m1/s1

InChIKey

ULBOFWKGFJYXHA-QULUKCDVSA-N

Smiles

C[C@@]([C@]12S[C@](CC2)(C)[C@H]2[C@@H](C(=O)C=CC=Cc3nc(sc3)[C@H](NC(C1)=O)C)O2)(C(O)=O)O