Compound ID | 3445

Update compound information

CJ-17,665

Synonym(s): Avrainvillamide

Class: Natural product antibiotic

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against multidrug-resistant Staphylococcus aureus, Streptococcus pyogenes, and Enterococcus faecalis
Description: Natural product from Aspergillus ochraceus; diketopiperazine containing N-oxide moiety; also shows cytotoxicity towards HeLa cells
Institute where first reported: Pfizer Inc.
Year first mentioned: 2001
Development status: Experimental
Chemical structure(s):
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Molecular weight: 445.51
Iso. SMILES: CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=C[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)[O-])C
InChI Key: ALXLLOQTGLPCFG-ATANMQQVSA-N
Can. SMILES: CC1(C)C=CC2=C3C(=CC=C2O1)C4=C[C@]56[C@@H](C[C@@]7(CCCN7C5=O)C(=O)N6)C(C)(C)C4=[N+]3[O-]
InChI: InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25-,26-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/11719255
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/54/11/54_11_911/_article/-char/en

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