Compound ID | 2188

Update compound information

Cyclohexyl-griselimycin

Class: Antimicrobial peptide

Details of activity: Active against Mycobacterium abscessus; targets mycobacterial DnaN
Propensity to select resistant mutants: Yes
Description: Natural product from Streptomyces sp.; cyclohexyl analogue was developed from griselimycin
Year first mentioned: 2015
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1195.58
Iso. SMILES: CC(C[C@H]1C(N([C@H](C(N2C[C@H](C3CCCCC3)C[C@H]2C(N([C@H](C(NCC(O[C@@H]([C@H](N(C([C@@H]4C[C@H](CN4C([C@@H](N(C(C)=O)C)C(C)C)=O)C)=O)C)C(N[C@H](C(N5C[C@@H](C[C@H]5C(N1)=O)C)=O)CC(C)C)=O)C)=O)=O)CC(C)C)C)=O)=O)C(C)C)C)=O)C
InChI Key: QVJWQAABJRGBNE-LUKOEUIBSA-N
Can. SMILES: CC(C)C[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(=O)O[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@H](C)C[C@H]3C(=O)N1)N(C)C(=O)[C@@H]4C[C@@H](C)CN4C(=O)[C@H](C(C)C)N(C)C(=O)C)C5CCCCC5
InChI: InChI=1S/C63H106N10O12/c1-34(2)24-45-58(79)69(17)53(38(9)10)63(84)73-33-44(43-22-20-19-21-23-43)29-50(73)60(81)68(16)47(26-36(5)6)55(76)64-30-51(75)85-41(13)54(57(78)66-46(25-35(3)4)59(80)71-31-39(11)27-48(71)56(77)65-45)70(18)61(82)49-28-40(12)32-72(49)62(83)52(37(7)8)67(15)42(14)74/h34-41,43-50,52-54H,19-33H2,1-18H3,(H,64,76)(H,65,77)(H,66,78)/t39-,40-,41-,44-,45+,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1
External links:
Guide to Pharmacology: cyclohexylgriselimycin
Citations:
  • https://www.science.org/doi/10.1126/science.aaa4690
  • https://journals.asm.org/doi/10.1128/AAC.01400-21

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