Compound ID | 2412

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Kynomycin

Class: Lipopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus, methicillin-resistant Staphylococcus aureus, Streptococcus faecalis, and Enterococcus; membrane-active agent (cytoplasmic membrane)
Description: Semisynthetic compound (lipodepsipeptide), a daptomycin analogue; better pharmacokinetic profile and lower HEK293 cytotoxicity compared to daptomycin
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1634.7
Iso. SMILES: CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]3C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)C4=CC=CC=C4NC)C(=O)O[C@@H]3C
InChI Key: YCFWBJIKTNNMNL-YTHFAWDVSA-N
Can. SMILES: CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)C4=C(C=CC=C4)NC)NC(=O)[C@H]([C@H](C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O
InChI: InChI=1S/C73H103N17O26/c1-6-7-8-9-10-11-12-23-54(94)82-45(26-39-32-77-43-21-16-13-18-40(39)43)67(109)85-46(28-53(75)93)68(110)87-49(31-60(103)104)69(111)90-62-38(4)116-73(115)50(27-52(92)41-19-14-15-20-42(41)76-5)88-72(114)61(36(2)25-57(97)98)89-70(112)51(35-91)83-56(96)33-78-64(106)47(29-58(99)100)84-63(105)37(3)80-66(108)48(30-59(101)102)86-65(107)44(22-17-24-74)81-55(95)34-79-71(62)113/h13-16,18-21,32,36-38,44-51,61-62,76-77,91H,6-12,17,22-31,33-35,74H2,1-5H3,(H2,75,93)(H,78,106)(H,79,113)(H,80,108)(H,81,95)(H,82,94)(H,83,96)(H,84,105)(H,85,109)(H,86,107)(H,87,110)(H,88,114)(H,89,112)(H,90,111)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t36-,37-,38-,44+,45+,46+,47+,48+,49+,50+,51-,61+,62+/m1/s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c01604

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