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Substance Name: Perimycin A
RN: 62327-61-1
UNII: J1A6A7WH82
InChIKey: SIJFZOSSGXKJCI-FTNWOYNKSA-N

Molecular Formula

  • C59-H88-N2-O17

Molecular Weight

  • 1097.3412
 
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Names and Synonyms

Name of Substance

  • Perimycin A

Synonym

  • UNII-J1A6A7WH82

Systematic Name

  • Perimycin A

Registry Numbers

CAS Registry Number

  • 62327-61-1

FDA UNII

  • J1A6A7WH82

System Generated Number

  • 0062327611

Structure Descriptors

InChI

1S/C59H88N2O17/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-49(76-58-56(73)55(72)54(60)39(4)75-58)33-52-38(3)51(70)35-59(74,78-52)34-48(68)30-46(66)28-44(64)26-43(63)27-45(65)29-47(67)32-53(71)77-57(36)37(2)20-25-42(62)31-50(69)40-21-23-41(61-5)24-22-40/h6-19,21-24,36-39,42-44,46-49,51-52,54-58,61-64,66-68,70,72-74H,20,25-35,60H2,1-5H3/b7-6-,10-8-,11-9+,14-12+,15-13+,18-16+,19-17+/t36-,37-,38+,39+,42?,43+,44-,46-,47+,48-,49-,51-,52-,54+,55-,56-,57-,58-,59+/m0/s1

InChIKey

SIJFZOSSGXKJCI-FTNWOYNKSA-N

Smiles

C[C@H]1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](C[C@H](C[C@H](CC(=O)C[C@H](CC(=O)O[C@@H]1[C@@H](C)CCC(CC(=O)c3ccc(cc3)NC)O)O)O)O)O)O)O)O)C)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)N)O)O