Compound ID | 3597

Update compound information

A47934

Synonym(s): A-47934  |  A 47934

Class: Glycopeptide

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Cell wall synthesis inhibitor. Likely cell wall synthesis inhibitor
Target Pathogen: Active against Staphylococcus aureus, Streptococcus pyogenes, and Streptococcus pneumoniae
Description: Natural product from Streptomyces toyocaensis
Year first mentioned: 1986
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1313.43
Iso. SMILES: C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)OS(=O)(=O)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C(=CC(=C2)[C@H](C(=O)N8)NC5=O)Cl)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
InChI Key: HRGFAEUWEMDRRZ-QLRHZSCISA-N
Can. SMILES: C1=C2C=C(C(=C1)OC3=CC4=CC(=C3O)OC5=CC=C(C=C5Cl)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=CC(=CC(=C8O)Cl)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C%10=CC(=CC(=C%10)O)OC%11=CC(=CC=C%11OS(=O)(=O)O)[C@H](C(=O)N[C@H](C2)C(=O)N9)N)O)O)C(=O)O)O)Cl
InChI: InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16131155
Citations:
  • https://pubmed.ncbi.nlm.nih.gov/3793622/
  • https://journals.asm.org/doi/10.1128/aac.31.10.1497

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