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Substance Name: Amphotericin B, N-D-tryptophyl-, methyl ester
ID: BU28400000
InChIKey: FOKPKVKVUZMIAL-NDKKMFONSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C59-H83-N3-O18

Molecular Weight

  • 1124.3235
 
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Names and Synonyms

Synonym

  • N-D-Tryptophylamphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-D-tryptophyl-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2840000

System Generated Number

  • BU28400000

Structure Descriptors

InChI

1S/C59H85N3O18/c1-34-20-16-14-12-10-8-6-7-9-11-13-15-17-21-42(79-58-55(72)52(54(71)37(4)78-58)62-56(73)44(60)26-38-33-61-45-23-19-18-22-43(38)45)30-49-51(57(74)76-5)48(68)32-59(75,80-49)31-41(65)28-47(67)46(66)25-24-39(63)27-40(64)29-50(69)77-36(3)35(2)53(34)70/h6-23,33-37,39-42,44,46-49,51-55,58,61,63-68,70-72,75H,24-32,60H2,1-5H3,(H,62,73)/b7-6+,10-8+,11-9+,14-12+,15-13+,20-16+,21-17+/t34-,35-,36-,37+,39+,40+,41-,42-,44+,46+,47+,48-,49-,51+,52-,53+,54+,55-,58-,59+/m0/s1

InChIKey

FOKPKVKVUZMIAL-NDKKMFONSA-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)Cc4c[nH]c5ccccc45)[C@@H]3O