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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-, methyl ester, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-
RN: 190774-59-5
InChIKey: KRLZPFBQYOOPEP-OFKQMFLKSA-N

Molecular Formula

  • C23-H28-N2-O6-S2

Molecular Weight

  • 492.614
 
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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-, methyl ester, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-

Registry Numbers

CAS Registry Number

  • 190774-59-5

System Generated Number

  • 0190774595

Structure Descriptors

InChI

1S/C23H28N2O6S2/c1-13-19-25-14(12-32-19)7-5-6-8-15(26)17-18(31-17)21(2)9-10-23(33-21,11-16(27)24-13)22(3,29)20(28)30-4/h5-8,12-13,17-18,29H,9-11H2,1-4H3,(H,24,27)/b7-5-,8-6+/t13-,17+,18-,21+,22+,23-/m1/s1

InChIKey

KRLZPFBQYOOPEP-OFKQMFLKSA-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(OC)=O)O