Compound | AntibioticDB

Compound ID | 307

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CA(1-8)M(1-18)

Class: Antimicrobial peptide

Spectrum of activity:	Gram-positive
Details of activity:	Cell membrane permator; potent against Acinetobacter baumannii, even strains resistant to collistin, quinolone and carbapenems
Combined with other compounds:	Tested with tobramycin which demonsstrated synergy
Institute where first reported:	Centro de investigaciones, University of Barcelona, Spain
Year first mentioned:	1999
Highest developmental phase:	Preclinical
Development status:	Inactive

Chemical structure(s):

Molecular weight: 2795.5

Iso. SMILES:	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C
InChI Key:	DWGNKSGMLMUYLE-LRXDCVMYSA-N
Can. SMILES:	CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CCCCN)N
InChI:	InChI=1S/C136H232N32O30/c1-25-79(18)109(161-106(174)70-145-129(190)110(80(19)26-2)164-120(181)94(52-37-42-58-141)150-117(178)91(49-34-39-55-138)151-123(184)99(65-86-44-29-28-30-45-86)157-122(183)95(60-72(4)5)156-118(179)92(50-35-40-56-139)152-124(185)100(155-116(177)89(142)47-33-38-54-137)66-87-67-143-90-48-32-31-46-88(87)90)128(189)144-68-104(172)147-82(21)115(176)162-107(77(14)15)131(192)158-96(61-73(6)7)121(182)153-93(51-36-41-57-140)119(180)163-108(78(16)17)132(193)159-98(63-75(10)11)126(187)166-113(85(24)171)134(195)167-112(84(23)170)130(191)146-69-105(173)149-101(64-76(12)13)135(196)168-59-43-53-103(168)127(188)148-83(22)114(175)154-97(62-74(8)9)125(186)165-111(81(20)27-3)133(194)160-102(71-169)136(197)198/h28-32,44-46,48,67,72-85,89,91-103,107-113,143,169-171H,25-27,33-43,47,49-66,68-71,137-142H2,1-24H3,(H,144,189)(H,145,190)(H,146,191)(H,147,172)(H,148,188)(H,149,173)(H,150,178)(H,151,184)(H,152,185)(H,153,182)(H,154,175)(H,155,177)(H,156,179)(H,157,183)(H,158,192)(H,159,193)(H,160,194)(H,161,174)(H,162,176)(H,163,180)(H,164,181)(H,165,186)(H,166,187)(H,167,195)(H,197,198)/t79-,80-,81-,82-,83-,84+,85+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,107-,108-,109-,110-,111-,112-,113-/m0/s1

External links:
Citations:	https://journals.asm.org/doi/10.1128/aac.50.4.1251-1256.2006 https://journals.asm.org/doi/10.1128/aac.50.4.1251-1256.2006

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