Compound ID | 1351

Update compound information

WAP-8294A4

Class: Cyclodepsipeptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Also active against MRSA
Institute where first reported: Wakamoto Pharmaceutical, Japan
Year first mentioned: 1997
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 1576.79
Iso. SMILES: CC(C)CCCCC1CC(=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: LMRZKCWSEDKLES-UHFFFAOYSA-N
Can. SMILES: CC(C)CCCCC1CC(=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/C74H113N17O21/c1-39(2)18-12-13-21-44-33-57(95)81-54(38-93)70(107)89-60(62(99)63(78)100)72(109)88-53(37-92)64(101)80-36-58(96)90(7)55(31-42-19-10-9-11-20-42)71(108)87-50(30-40(3)4)67(104)82-47(24-16-28-75)65(102)83-48(26-27-59(97)98)66(103)86-52(34-56(77)94)69(106)85-51(32-43-35-79-46-23-15-14-22-45(43)46)68(105)84-49(25-17-29-76)73(110)91(8)61(41(5)6)74(111)112-44/h9-11,14-15,19-20,22-23,35,39-41,44,47-55,60-62,79,92-93,99H,12-13,16-18,21,24-34,36-38,75-76H2,1-8H3,(H2,77,94)(H2,78,100)(H,80,101)(H,81,95)(H,82,104)(H,83,102)(H,84,105)(H,85,106)(H,86,103)(H,87,108)(H,88,109)(H,89,107)(H,97,98)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/102439064
Citations:
  • https://europepmc.org/article/pmc/pmc3468324

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