Compound ID | 1349

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WAP-8294A1

Synonym(s): WAP-8294 A1  |  WAP8294A1  |  WAP 8294 A1  |  WAP 8294A1

Class: Antimicrobial peptide

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Membrane-active agent
Target Pathogen: Active against methicillin-resistant Staphylococcus aureus
Description: A cyclodepsipeptide
Institute where first reported: Wakamoto Pharmaceutical, Japan
Year first mentioned: 1997
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1548.74
Iso. SMILES: CCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)C)C)CCCN)CC2=CNC3=CC=CC=C32)CC(=O)N)CCC(=O)O)CCCN)CC(C)C)CC4=CC=CC=C4)C)CO)C(C(=O)N)O)CO
InChI Key: FWROJRTZGTXNCS-UHFFFAOYSA-N
Can. SMILES: CCCCCC1CC(=O)NC(CO)C(=O)NC(C(C(=O)N)O)C(=O)NC(CO)C(=O)NCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=C3C=CC=C4)C(=O)NC(CCCN)C(=O)N(C)C(C(C)C)C(=O)O1
InChI: InChI=1S/C72H109N17O21/c1-8-9-11-20-42-32-55(93)79-52(37-91)68(105)87-58(60(97)61(76)98)70(107)86-51(36-90)62(99)78-35-56(94)88(6)53(30-40-18-12-10-13-19-40)69(106)85-48(29-38(2)3)65(102)80-45(23-16-27-73)63(100)81-46(25-26-57(95)96)64(101)84-50(33-54(75)92)67(104)83-49(31-41-34-77-44-22-15-14-21-43(41)44)66(103)82-47(24-17-28-74)71(108)89(7)59(39(4)5)72(109)110-42/h10,12-15,18-19,21-22,34,38-39,42,45-53,58-60,77,90-91,97H,8-9,11,16-17,20,23-33,35-37,73-74H2,1-7H3,(H2,75,92)(H2,76,98)(H,78,99)(H,79,93)(H,80,102)(H,81,100)(H,82,103)(H,83,104)(H,84,101)(H,85,106)(H,86,107)(H,87,105)(H,95,96)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/102439063
Citations:
  • https://doi.org/10.1039/c2np20064c
  • https://doi.org/10.7164/antibiotics.51.929

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