Name: Teicoplanin aglycone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318074
Cas No:89139-42-4
常用名:Teicoplanin aglycone
别名:TD-A3
IUPAC:(1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid
IUPAC:(1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid
InChI key:DKVBOUDTNWVDEP-NJCHZNEYSA-N

分子式:C58H45Cl2N7O18
分子量:1198.93
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[C@]6([H])NC(=O)[C@]([H])(NC(=O)[C@]5([H])NC(=O)[C@@]([H])(NC1=O)c1cc(O)cc(Oc5cc(ccc5O)[C@@H](N)C(=O)N2)c1)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC6=O)C(O)=O)c4O)c(Cl)c3
SMILES:[H][C@@]12Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[C@]6([H])NC(=O)[C@]([H])(NC(=O)[C@]5([H])NC(=O)[C@@]([H])(NC1=O)c1cc(O)cc(Oc5cc(ccc5O)[C@@H](N)C(=O)N2)c1)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC6=O)C(O)=O)c4O)c(Cl)c3

Teicoplanin aglycone is an antibacterial glycopeptide antibiotic used in the prophylaxis and treatment of serious infections caused by Gram-positive bacteria, including Enterococcus faecalis and methicillin-resistant Staphylococcus aureus.

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