Compound ID | 1215

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LFF571

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Elongation factor inhibitor, C. difficile Infection
Institute where first reported: Novartis
Highest developmental phase: Phase 2
Development status: Active
Chemical structure(s):
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Molecular weight: 1366.62
Iso. SMILES: CC1=C2C(=O)N[C@H](C3=NC(=C(S3)COC)C(=O)NCC(=O)N[C@H](C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)N(CCCCC(=O)O)C(=O)OC8CCC(CC8)C(=O)O)C9=NC(=CS9)C(=O)N[C@H](C(=N2)S1)CC(=O)NC)[C@H](C%10=CC=CC=C%10)O)C(C)C
InChI Key: GNLYKLDXQZHYTR-QWSGWXDSSA-N
Can. SMILES: CC(C)[C@H]1C2=NC(=C(COC)S2)C(=O)NCC(=O)N[C@@H]([C@H](C3=CC=CC=C3)O)C4=NC(=CS4)C5=NC(=CS5)C6=NC(=CC=C6C7=NC(=CS7)C(=O)N[C@@H](CC(=O)NC)C8=NC(=C(C)S8)C(=O)N1)C9=NC(=CS9)N(CCCCC(=O)O)C(=O)OC%10CCC(CC%10)C(=O)O
InChI: InChI=1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31?,32?,35-,44-,48-,49-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/42638236
Citations:
  • https://pubs.acs.org/doi/10.1021/jm201685h

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