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Substance Name: Amphotericin B, N-L-lysyl-, methyl ester
ID: BU26971000
InChIKey: UNNPLYIBPSUWJJ-YEVAGTQLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H87-N3-O18

Molecular Weight

  • 1066.2843
 
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Names and Synonyms

Synonym

  • N-L-Lysylamphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-L-lysyl-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2697100

System Generated Number

  • BU26971000

Structure Descriptors

InChI

1S/C54H87N3O18/c1-32-20-16-14-12-10-8-6-7-9-11-13-15-17-21-39(74-53-50(67)47(49(66)35(4)73-53)57-51(68)40(56)22-18-19-25-55)29-44-46(52(69)71-5)43(63)31-54(70,75-44)30-38(60)27-42(62)41(61)24-23-36(58)26-37(59)28-45(64)72-34(3)33(2)48(32)65/h6-17,20-21,32-44,46-50,53,58-63,65-67,70H,18-19,22-31,55-56H2,1-5H3,(H,57,68)/b7-6+,10-8+,11-9+,14-12+,15-13+,20-16+,21-17+/t32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43-,44-,46+,47-,48+,49+,50-,53-,54+/m0/s1

InChIKey

UNNPLYIBPSUWJJ-YEVAGTQLSA-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)[C@@H](N)CCCCN)[C@@H]3O