Compound ID | 65

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NAI-107, microbisporicin

Class: Antimicrobial peptide (lantibiotic)

Spectrum of activity: Gram-positive
Details of activity: MRSA (methicillin resistant Staphylococcus aureus)
Institute where first reported: Sentinella Pharmaceuticals, Inc. (Previously owned by NAICONS, Milan, Italy)
Year first mentioned: 2009
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 2248.96
Iso. SMILES: C=C1NC(=O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)NC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](N)C(C)C)CSC[C@@H](C(=O)NC4CCSC[C@H](C(=O)N[C@@H](C(=O)N[C@@H]5CSC[C@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CSC[C@H]7NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@@H](CS/C=C/NC7=O)NC6=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]9C(O)C(O)CN9C5=O)[C@H](C)O)NC(=O)CNC(=O)[C@@H]%10CCCN%10C4=O)NC(=O)[C@H](CC(C)C)NC1=O
InChI Key: SUHCUKRFRUAUMP-FBVXFENJSA-N
Can. SMILES: C/C=C(/C(=O)N[C@H]1CSC[C@@H](C(=O)NC2CCSC[C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H]3CSC[C@@H]4C(=O)N[C@@H]5CS/C=C/NC(=O)[C@@H](CSC[C@H](C(=O)N[C@@H](CC(=O)N)C(=O)N4)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]6C(C(CN6C3=O)O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC5=O)NC(=O)CNC(=O)[C@@H]8CCCN8C2=O)NC(=O)[C@H](CC(C)C)NC(=O)C(=C)NC(=O)[C@H](CC9=CNC%10=C9C=C(C=C%10)Cl)NC1=O)\NC(=O)[C@H](C(C)C)N
InChI: InChI=1S/C94H127ClN26O27S5/c1-8-50(107-90(144)72(97)43(4)5)78(132)114-62-39-152-38-61(115-80(134)53(23-42(2)3)109-76(130)44(6)104-79(133)55(111-86(62)140)25-47-28-99-51-17-16-48(95)26-49(47)51)84(138)108-52-18-21-149-34-58(105-71(128)32-102-89(143)65-15-12-20-120(65)93(52)147)88(142)119-73(45(7)122)91(145)118-64-41-153-40-63-87(141)117-60-35-150-22-19-98-77(131)57(113-81(135)54(110-85(60)139)24-46-13-10-9-11-14-46)36-151-37-59(83(137)112-56(27-67(96)124)82(136)116-63)106-70(127)31-101-68(125)29-100-69(126)30-103-92(146)74-75(129)66(123)33-121(74)94(64)148/h8-11,13-14,16-17,19,22,26,28,42-43,45,52-66,72-75,99,122-123,129H,6,12,15,18,20-21,23-25,27,29-41,97H2,1-5,7H3,(H2,96,124)(H,98,131)(H,100,126)(H,101,125)(H,102,143)(H,103,146)(H,104,133)(H,105,128)(H,106,127)(H,107,144)(H,108,138)(H,109,130)(H,110,139)(H,111,140)(H,112,137)(H,113,135)(H,114,132)(H,115,134)(H,116,136)(H,117,141)(H,118,145)(H,119,142)/b22-19+,50-8-/t45-,52?,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63+,64+,65-,66?,72-,73+,74-,75?/m0/s1
External links:
Citations:
  • http://naicons.com/early-development-programs/
  • https://www.ncbi.nlm.nih.gov/pubmed/19844846
  • https://www.ncbi.nlm.nih.gov/pubmed/23657384
  • https://www.sciencedirect.com/science/article/pii/S1074552107004061?via%3Dihub

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