Name: Amphotericin B methyl ester
Rating: 5 (10 reviews)

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HIT ID:HIT214314949
Cas No:36148-89-7
常用名:Amphotericin B methyl ester
IUPAC:methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21Z,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
IUPAC:methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21Z,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
InChI key:UAZIZEMIKKIBCA-CNSZYRSBSA-N

分子式:C48H75NO17
分子量:938.118
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)OC)O2 |c:26,t:16,18,20,22,24,28|
SMILES:[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)OC)O2 |c:26,t:16,18,20,22,24,28|

Amphotericin B methyl ester is the derivative of the antibiotic Amphotericin B. Amphotericin B methyl ester is the cholesterol-binding compound that possesses significant antifungal activity. It disrupts HIV-1 particle production and potently inhibits HIV-1 replication.

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