Compound ID | 2336

Update compound information

Krisynomycin C

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: Natural product from Streptomyces canus strain CA-091830; potentiates imipenem against methicillin-resistant Staphylococcus aureus (no activity when tested on its own); depsipeptide scaffold
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1365.94
Iso. SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CS(=O)(=O)O)CC3=CNC4=C3C=CC=C4Cl)CC5=CNC6=CC=CC(=C65)CC=C(C)C)C(C)C)CC(C)C)CO)NC(=O)CC(=O)O
InChI Key: DPJYEJUXFZIWRV-LTGAINOJSA-N
Can. SMILES: CC(=CCC1=CC=CC2=C1C(=CN2)C[C@H]3C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)N[C@H](CS(=O)(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CNC6=C5C=CC=C6Cl)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CC(=O)O)C
InChI: InChI=1S/C63H85ClN12O18S/c1-30(2)18-19-35-13-10-16-40-50(35)37(26-65-40)23-43-57(84)75-52(33(7)8)60(87)70-41(21-31(3)4)55(82)71-44(27-77)63(90)94-28-45(72-61(88)51(32(5)6)74-54(81)34(9)67-48(78)24-49(79)80)58(85)73-46(29-95(91,92)93)62(89)76-20-12-17-47(76)59(86)69-42(56(83)68-43)22-36-25-66-53-38(36)14-11-15-39(53)64/h10-11,13-16,18,25-26,31-34,41-47,51-52,65-66,77H,12,17,19-24,27-29H2,1-9H3,(H,67,78)(H,68,83)(H,69,86)(H,70,87)(H,71,82)(H,72,88)(H,73,85)(H,74,81)(H,75,84)(H,79,80)(H,91,92,93)/t34-,41+,42-,43-,44-,45-,46+,47-,51-,52+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/156580885
Citation: https://pubs.acs.org/doi/10.1021/acs.jnatprod.0c00294

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