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Substance Name: Amphotericin B, N-(N(sup 2),N(sup 6)-diglycyl-D-lysyl)-, methyl ester
ID: BU26800000
InChIKey: VXPWEUVRPNWPOK-OXQUHWSUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H91-N5-O20

Molecular Weight

  • 1180.3877
 
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Names and Synonyms

Synonym

  • N-(N(sup 2),N(sup 6)-Diglycyl-D-lysyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(N(sup 2),N(sup 6)-diglycyl-D-lysyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2680000

System Generated Number

  • BU26800000

Structure Descriptors

InChI

1S/C58H93N5O20/c1-34-20-16-14-12-10-8-6-7-9-11-13-15-17-21-41(82-57-54(75)51(53(74)37(4)81-57)63-55(76)42(62-48(71)33-60)22-18-19-25-61-47(70)32-59)29-46-50(56(77)79-5)45(69)31-58(78,83-46)30-40(66)27-44(68)43(67)24-23-38(64)26-39(65)28-49(72)80-36(3)35(2)52(34)73/h6-17,20-21,34-46,50-54,57,64-69,73-75,78H,18-19,22-33,59-60H2,1-5H3,(H,61,70)(H,62,71)(H,63,76)/b7-6+,10-8+,11-9+,14-12+,15-13+,20-16+,21-17+/t34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45-,46-,50+,51-,52+,53+,54-,57-,58+/m0/s1

InChIKey

VXPWEUVRPNWPOK-OXQUHWSUSA-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](CCCCNC(=O)CN)NC(=O)CN)[C@@H]3O