Compound ID | 2134

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Bogorol and analogues

Class: Lipopeptide

Spectrum of activity: Gram-positive
Details of activity: Disrupts the integrity of the outer membrane and leads to cell membrane permeation and disintegration.
Description: Natural product produced by Bacillus; linear cationic nonribosomal lipopeptide; differs from brevibacillin by two residues
Year first mentioned: 2001
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1584.08
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)C(=CC)NC(=O)[C@H]([C@@H](C)CC)O
InChI Key: OUGJGNKKLVPBBE-ISGQAFQFSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)C(=CC)NC(=O)[C@H]([C@@H](C)CC)O
InChI: InChI=1S/C80H142N16O16/c1-20-50(18)66(96-71(103)57(30-27-37-83)86-72(104)58(38-43(4)5)88-68(100)54(22-3)84-80(112)67(99)51(19)21-2)79(111)95-65(49(16)17)78(110)94-64(48(14)15)76(108)87-56(29-24-26-36-82)70(102)93-63(47(12)13)77(109)91-60(40-45(8)9)73(105)85-55(28-23-25-35-81)69(101)90-61(41-52-31-33-53(98)34-32-52)75(107)89-59(39-44(6)7)74(106)92-62(42-97)46(10)11/h22,31-34,43-51,55-67,97-99H,20-21,23-30,35-42,81-83H2,1-19H3,(H,84,112)(H,85,105)(H,86,104)(H,87,108)(H,88,100)(H,89,107)(H,90,101)(H,91,109)(H,92,106)(H,93,102)(H,94,110)(H,95,111)(H,96,103)/t50-,51-,55-,56+,57+,58-,59-,60+,61+,62+,63-,64-,65-,66-,67-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/129698338
Citations:
  • https://pubmed.ncbi.nlm.nih.gov/11428033/
  • https://pubmed.ncbi.nlm.nih.gov/16872185/

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