Compound ID | 1808

Update compound information

Krisynomycin

Class: Cyclic depsipeptide

Spectrum of activity: Gram-positive
Details of activity: Inhibits the signal peptidase of Staphylococcus type IB (Spase)
Combined with other compounds: Yes
Description: Streptomyces natural compound
Institute where first reported: Merck
Year first mentioned: 2012
Highest developmental phase: Preclinical
Development status: Inactive (as of 2022)
Chemical structure(s):
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Molecular weight: 1400.39
Iso. SMILES: CC(C)CC1C(=O)NC(C(=O)OCC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC3=CNC4=C(C=CC(=C34)CC=C(C)C)Cl)CC5=CNC6=C5C=CC=C6Cl)CS(=O)(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CC(=O)O)CO
InChI Key: IGMSWFSSMCZHFC-UHFFFAOYSA-N
Can. SMILES: CC(=CCC1=CC=C(C2=C1C(=CN2)CC3C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)OCC(C(=O)NC(CS(=O)(=O)O)C(=O)N4CCCC4C(=O)NC(CC5=CNC6=C5C=CC=C6Cl)C(=O)N3)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CC(=O)O)Cl)C
InChI: InChI=1S/C63H84Cl2N12O18S/c1-29(2)15-16-34-17-18-39(65)53-49(34)36(25-67-53)22-42-57(85)76-51(32(7)8)60(88)71-40(20-30(3)4)55(83)72-43(26-78)63(91)95-27-44(73-61(89)50(31(5)6)75-54(82)33(9)68-47(79)23-48(80)81)58(86)74-45(28-96(92,93)94)62(90)77-19-11-14-46(77)59(87)70-41(56(84)69-42)21-35-24-66-52-37(35)12-10-13-38(52)64/h10,12-13,15,17-18,24-25,30-33,40-46,50-51,66-67,78H,11,14,16,19-23,26-28H2,1-9H3,(H,68,79)(H,69,84)(H,70,87)(H,71,88)(H,72,83)(H,73,89)(H,74,86)(H,75,82)(H,76,85)(H,80,81)(H,92,93,94)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/76328340
Citations:
  • https://pubs.acs.org/doi/10.1021/acs.jnatprod.0c00294
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3421906/

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