Compound ID | 2681

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Polymyxin T1

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Staphylococcus aureus, Streptococcus pyogenes, Escherichia coli, Klebsiella pneumoniae, Salmonella typhimurium, and Pseudomonas aeruginosa; disrupts integrity of cell membrane
Description: Natural product from Bacillus polymyxa; co-discovered in complex with Polymyxin S1; active in vivo
Institute where first reported: Shionogi Research Laboratory, Shionogi & Co., Ltd., Fukushima-ku, Osaka, 553 Japan
Year first mentioned: 1977
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1215.53
Iso. SMILES: CC[C@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)CC(C)C
InChI Key: IQLZHIIINCHIKY-KPIJIBMFSA-N
Can. SMILES: CC[C@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC1=O
InChI: InChI=1S/C58H102N16O12/c1-8-35(6)14-12-13-17-47(76)65-38(18-24-59)55(83)74-48(36(7)75)58(86)70-42(22-28-63)51(79)69-43-23-29-64-49(77)44(30-33(2)3)71-52(80)40(20-26-61)66-50(78)39(19-25-60)68-56(84)45(31-34(4)5)72-57(85)46(32-37-15-10-9-11-16-37)73-53(81)41(21-27-62)67-54(43)82/h9-11,15-16,33-36,38-46,48,75H,8,12-14,17-32,59-63H2,1-7H3,(H,64,77)(H,65,76)(H,66,78)(H,67,82)(H,68,84)(H,69,79)(H,70,86)(H,71,80)(H,72,85)(H,73,81)(H,74,83)/t35-,36-,38+,39+,40-,41+,42+,43-,44+,45-,46-,48+/m0/s1
External links:
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/30/12/30_12_1029/_pdf/-char/en

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