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Substance Name: Amphotericin B, N-(N-glycylglycyl)-, methyl ester
ID: BU26850000
InChIKey: VKXCUNZMBJITFV-PCSLCTHPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C52-H81-N3-O19

Molecular Weight

  • 1052.2139
 
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Names and Synonyms

Synonym

  • N-(Glycylglycyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(N-glycylglycyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2685000

System Generated Number

  • BU26850000

Structure Descriptors

InChI

1S/C52H81N3O19/c1-30-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(73-51-49(67)46(48(66)33(4)72-51)55-43(63)29-54-42(62)28-53)25-41-45(50(68)70-5)40(61)27-52(69,74-41)26-36(58)23-39(60)38(59)21-20-34(56)22-35(57)24-44(64)71-32(3)31(2)47(30)65/h6-19,30-41,45-49,51,56-61,65-67,69H,20-29,53H2,1-5H3,(H,54,62)(H,55,63)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,45+,46-,47+,48+,49-,51-,52+/m0/s1

InChIKey

VKXCUNZMBJITFV-PCSLCTHPSA-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)CNC(=O)CN)[C@@H]3O