Name: Echinocandin B
Rating: 5 (10 reviews)

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HIT ID:HIT212038875
Cas No:54651-05-7
常用名:Echinocandin B
别名:NSC 287461, A-30912A, A30912A, A22082, A 30912A
别名:NSC 287461, A-30912A, A30912A, A22082, A 30912A
IUPAC:(9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]octadeca-9,12-dienamide
IUPAC:(9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]octadeca-9,12-dienamide
InChI key:FAUOJMHVEYMQQG-HVYQDZECSA-N

分子式:C52H81N7O16
分子量:1060.253
氢键供体数 (HBD):14
氢键受体数 (HBA):16
LogP:-1.5714163
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O)NC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@@H](C)O
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O)NC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@@H](C)O

Echinocandin B is a cyclic hexapeptide echinocandin antibiotic from Aspergillus nidulans var. echinulatus . It attacks the cell wall of fungi by inhibiting beta-1,3-glucan synthesis.

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