Compound ID | 43

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Kocurin

Synonym(s): PM181104

Class: Antimicrobial peptide

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Protein synthesis inhibitor
Target Pathogen: Active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant enterococci
Description: Natural product from marine sponge-associated actinobacterium strain of the genus Kocuria (MTCC 5269); a thiazolyl cyclic-peptide antibiotic; shows poor aqueous solubility
Institute where first reported: Piramal Enterprises Limited, India
Year first mentioned: 2013
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1515.71
Iso. SMILES: CC1=C2C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C6=NC(=CS6)C7=NC(=CS7)C8=C(C=CC(=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N%10CCC[C@H]%10C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(=N2)O1)CC%11=CC=C(C=C%11)O)CC%12=CC=CC=C%12)CC(=O)N
InChI Key: WWWYMYPACSXBTM-GVYUJTEBSA-N
Can. SMILES: C=C(C(=O)N)NC(=O)C(=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(=C)NC(=O)C2=CSC(=N2)C3=CC=C4C(=N3)C5=CSC(=N5)C6=CSC(=N6)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@@H]9CSC(=N9)[C@H](CC%10=CC=CC=C%10)NC(=O)C%11=CSC(=N%11)[C@H](CC(=O)N)NC(=O)C%12=C(C)OC4=N%12
InChI: InChI=1S/C69H66N18O13S5/c1-31(54(71)90)72-55(91)33(3)74-60(96)49-13-9-21-86(49)68(98)34(4)75-56(92)32(2)73-57(93)45-27-102-63(81-45)40-20-19-39-53(76-40)44-26-101-66(80-44)48-30-105-67(84-48)50-14-10-22-87(50)69(99)43(24-37-15-17-38(88)18-16-37)79-59(95)47-29-103-64(82-47)41(23-36-11-7-6-8-12-36)77-58(94)46-28-104-65(83-46)42(25-51(70)89)78-61(97)52-35(5)100-62(39)85-52/h6-8,11-12,15-20,26-28,30,34,41-43,47,49-50,88H,1-3,9-10,13-14,21-25,29H2,4-5H3,(H2,70,89)(H2,71,90)(H,72,91)(H,73,93)(H,74,96)(H,75,92)(H,77,94)(H,78,97)(H,79,95)/t34-,41-,42-,43-,47-,49-,50-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/71816533
Citations:
  • http://aac.asm.org/content/57/11/5315.full
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3640387/
  • https://journals.asm.org/doi/10.1128/aac.01059-13?url_ver=Z39.88-2003&rfr_id=ori%3Arid%3Acrossref.org&rfr_dat=cr_pub++0pubmed

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