Compound ID | 2335

Update compound information

Krisynomycin B

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Active against methicillin-resistant Staphylococcus aureus (with 2-8 ug/ml imipenem); membrane-active agent (cytoplasmic membrane)
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: 1331.5
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=CC=CC=C43)CC5=CNC6=CC=CC(=C65)CC=C(C)C)C(C)C)CC(C)C)CO)NC(=O)CC(=O)O
InChI Key: JUXOEVCIYVLUMM-NGAQCBFCSA-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=C6)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CC(=O)O)C
InChI: InChI=1S/C63H86N12O18S/c1-31(2)19-20-36-14-12-17-41-51(36)38(27-65-41)24-44-57(83)74-53(34(7)8)60(86)69-42(22-32(3)4)55(81)70-45(28-76)63(89)93-29-46(71-61(87)52(33(5)6)73-54(80)35(9)66-49(77)25-50(78)79)58(84)72-47(30-94(90,91)92)62(88)75-21-13-18-48(75)59(85)68-43(56(82)67-44)23-37-26-64-40-16-11-10-15-39(37)40/h10-12,14-17,19,26-27,32-35,42-48,52-53,64-65,76H,13,18,20-25,28-30H2,1-9H3,(H,66,77)(H,67,82)(H,68,85)(H,69,86)(H,70,81)(H,71,87)(H,72,84)(H,73,80)(H,74,83)(H,78,79)(H,90,91,92)/t35-,42+,43-,44-,45-,46-,47+,48-,52-,53+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/156580884
Citation: https://pubs.acs.org/doi/10.1021/acs.jnatprod.0c00294

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