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Substance Name: Amphotericin B, N-glycyl-, methyl ester
ID: BU26870000
InChIKey: SGSLGTHEUUPBFL-FJWVNWBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H78-N2-O18

Molecular Weight

  • 995.1622
 
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Names and Synonyms

Synonym

  • N-Glycylamphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-glycyl-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2687000

System Generated Number

  • BU26870000

Structure Descriptors

InChI

1S/C50H78N2O18/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-36(69-49-47(63)44(52-41(59)28-51)46(62)32(4)68-49)25-40-43(48(64)66-5)39(58)27-50(65,70-40)26-35(55)23-38(57)37(56)21-20-33(53)22-34(54)24-42(60)67-31(3)30(2)45(29)61/h6-19,29-40,43-47,49,53-58,61-63,65H,20-28,51H2,1-5H3,(H,52,59)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39-,40-,43+,44-,45+,46+,47-,49-,50+/m0/s1

InChIKey

SGSLGTHEUUPBFL-FJWVNWBGSA-N

Smiles

COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]1O2)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NC(=O)CN)[C@@H]3O