Compound ID | 59

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Subtilosin

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
Details of activity: Treatment option for bacterial vaginosis (BV), in combination with polyethylene glycol (PEG)-based hydrogels.Caused by the following: Gardnerella vaginalis, Prevotella, Peptostreptococcus, Mobiluncus, and Bacteroides spp
Combined with other compounds: Yes
Institute where first reported: Department of Pharmaceutics, Ernest Mario School of Pharmacy, Rutgers, The State University of New Jersey, New Brunswick, New Jersey, USA
Year first mentioned: 1985
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 3401.85
Iso. SMILES: CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC2(C(=O)NCC(=O)NC(C(=O)NC3(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CS3)C(=O)NC(C(=O)NC(C(=O)NC(CS2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC4CSC(C(=O)NC(C(=O)N1)CCC(=O)O)(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC(=O)C6CCCN6C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CC(C)C)C(C)C)CC(=O)O)C(C)CC)CC(=O)O)CC7=CC=CC=C7)C)C)C(C)CC)CO)C(C)O)C)CCCCN)CC(=O)N)CC8=CNC9=CC=CC=C98)CC(C)C)CC%10=CC=CC=C%10)CC(C)C)C(C)O)C)C
InChI Key: TXVROFQRFWFJGU-UHFFFAOYSA-N
Can. SMILES: CCC(C)C1C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NC2CSC(CC3=CC=CC=C3)(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC4(C(C)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC5(CC6=CC=CC=C6)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=C7C=CC=C8)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CS5)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CS4)C(=O)NC(CO)C(=O)N1)NC(=O)C(CC(=O)O)NC(=O)C9CCCN9C(=O)C(C(C)CC)NC(=O)C%10CCCN%10C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC2=O
InChI: InChI=1S/C152H226N38O45S3/c1-22-76(12)118-142(228)159-62-108(196)163-80(16)123(209)165-81(17)124(210)178-102-70-237-151(59-87-39-29-26-30-40-87,187-139(225)99(57-116(206)207)175-140(226)105-45-36-50-190(105)146(232)120(78(14)24-3)184-141(227)104-44-35-49-189(104)113(201)67-160-129(215)98(56-115(204)205)176-143(229)117(75(10)11)181-133(219)94(52-73(6)7)173-136(102)222)148(234)180-92(46-47-114(202)203)130(216)183-119(77(13)23-2)144(230)167-79(15)122(208)156-61-107(195)164-83(19)126(212)188-152(85(21)193)149(235)162-66-112(200)169-95(53-74(8)9)138(224)186-150(58-86-37-27-25-28-38-86)147(233)161-65-111(199)168-93(51-72(4)5)131(217)174-96(54-88-60-155-90-42-32-31-41-89(88)90)128(214)158-63-109(197)170-97(55-106(154)194)132(218)172-91(43-33-34-48-153)127(213)157-64-110(198)171-101(69-236-150)135(221)166-82(18)125(211)185-121(84(20)192)145(231)179-103(71-238-152)137(223)177-100(68-191)134(220)182-118/h25-32,37-42,60,72-85,91-105,117-121,155,191-193H,22-24,33-36,43-59,61-71,153H2,1-21H3,(H2,154,194)(H,156,208)(H,157,213)(H,158,214)(H,159,228)(H,160,215)(H,161,233)(H,162,235)(H,163,196)(H,164,195)(H,165,209)(H,166,221)(H,167,230)(H,168,199)(H,169,200)(H,170,197)(H,171,198)(H,172,218)(H,173,222)(H,174,217)(H,175,226)(H,176,229)(H,177,223)(H,178,210)(H,179,231)(H,180,234)(H,181,219)(H,182,220)(H,183,216)(H,184,227)(H,185,211)(H,186,224)(H,187,225)(H,188,212)(H,202,203)(H,204,205)(H,206,207)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/44227770
Citations:
  • http://aac.asm.org/content/58/5/2747.full
  • https://www.ncbi.nlm.nih.gov/pubmed/3936839

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