Compound ID | 2521

Update compound information

Caerin 1.1

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus; membrane-active agent
Description: Natural compound from Australian tree frog Litoria sp.; histidine-rich AMP
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 2584.11
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN
InChI Key: QNFRRKUGGKSRBS-RFAMVQPJSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN
InChI: InChI=1S/C121H203N33O29/c1-27-69(24)98(119(181)133-71(26)101(163)137-76(35-36-91(159)160)104(166)140-81(45-72-49-125-55-129-72)107(169)138-77(99(124)161)40-58(2)3)152-118(180)96(67(20)21)150-113(175)88-34-31-39-154(88)121(183)97(68(22)23)151-117(179)95(66(18)19)147-109(171)83(47-74-51-127-57-131-74)142-112(174)87-33-30-38-153(87)120(182)84(44-62(10)11)144-116(178)94(65(16)17)146-108(170)82(46-73-50-126-56-130-73)141-103(165)75(32-28-29-37-122)136-100(162)70(25)132-114(176)92(63(12)13)148-110(172)85(53-155)135-90(158)52-128-102(164)78(41-59(4)5)143-115(177)93(64(14)15)149-111(173)86(54-156)145-106(168)80(43-61(8)9)139-105(167)79(42-60(6)7)134-89(157)48-123/h49-51,55-71,75-88,92-98,155-156H,27-48,52-54,122-123H2,1-26H3,(H2,124,161)(H,125,129)(H,126,130)(H,127,131)(H,128,164)(H,132,176)(H,133,181)(H,134,157)(H,135,158)(H,136,162)(H,137,163)(H,138,169)(H,139,167)(H,140,166)(H,141,165)(H,142,174)(H,143,177)(H,144,178)(H,145,168)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,175)(H,151,179)(H,152,180)(H,159,160)/t69-,70-,71-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,92-,93-,94-,95-,96-,97-,98-/m0/s1
External links:
Citations:
  • https://febs.onlinelibrary.wiley.com/doi/epdf/10.1111/j.1432-1033.1997.00545.x
  • https://www.cell.com/biophysj/fulltext/S0006-3495(23)00037-1

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