Compound ID | 18

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Clavanin A

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Escherichia coli and Staphylococcus aureus sepsis infections.
Institute where first reported: Department of Biology, Institute of Biological Sciences, Federal University of Juiz de Fora, Juiz de Fora, Minas Gerais, Brazil Shanghai Hanhong Chemical
Year first mentioned: 2003
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 2666.09
Iso. SMILES: CC[C@H](C)[C@@H](C(=N[C@@H]([C@@H](C)CC)C(=N[C@@H](CC1=CN=CN1)C(=N[C@@H](CC2=CN=CN2)C(=N[C@@H](C(C)C)C(=NCC(=N[C@@H](CC(=N)O)C(=N[C@@H](CC3=CC=CC=C3)C(=N[C@@H](C(C)C)C(=N[C@@H](CC4=CN=CN4)C(=NCC(=N[C@@H](CC5=CC=CC=C5)C(=N[C@@H](CO)C(=N[C@@H](CC6=CN=CN6)C(=N[C@@H](C(C)C)C(=N[C@@H](CC7=CC=CC=C7)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CCCCN)N=C(CN=C([C@H](CC(C)C)N=C([C@H](CC8=CC=CC=C8)N=C([C@H](CCC(=N)O)N=C([C@H](CC9=CC=CC=C9)N=C([C@H](C(C)C)N)O)O)O)O)O)O)O
InChI Key: RSNVQBIWIXHDBE-VUDFIHAISA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=N[C@@H](CC1=CN=CN1)C(=N[C@@H](CC2=CN=CN2)C(=N[C@@H](C(C)C)C(=NCC(=N[C@@H](CC(=N)O)C(=N[C@@H](CC3=CC=CC=C3)C(=N[C@@H](C(C)C)C(=N[C@@H](CC4=CN=CN4)C(=NCC(=N[C@@H](CC5=CC=CC=C5)C(=N[C@@H](CO)C(=N[C@@H](CC6=CN=CN6)C(=N[C@@H](C(C)C)C(=N[C@@H](CC7=CC=CC=C7)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H]([C@@H](C)CC)N=C([C@H](CCCCN)N=C(CN=C([C@H](CC(C)C)N=C([C@H](CC8=CC=CC=C8)N=C([C@H](CCC(=N)O)N=C([C@H](CC9=CC=CC=C9)N=C([C@H](C(C)C)N)O)O)O)O)O)O)O)O
InChI: InChI=1S/C131H185N35O26/c1-15-76(13)110(166-131(192)111(77(14)16-2)165-116(177)87(44-32-33-47-132)148-103(170)63-141-113(174)90(48-71(3)4)153-119(180)92(51-80-38-26-19-27-39-80)154-115(176)88(45-46-101(133)168)151-118(179)93(52-81-40-28-20-29-41-81)158-126(187)106(135)72(5)6)130(191)160-96(55-84-60-138-68-145-84)120(181)156-97(56-85-61-139-69-146-85)123(184)162-107(73(7)8)127(188)143-65-105(172)150-99(58-102(134)169)121(182)155-94(53-82-42-30-21-31-43-82)122(183)163-109(75(11)12)129(190)159-95(54-83-59-137-67-144-83)114(175)142-64-104(171)149-91(50-79-36-24-18-25-37-79)117(178)161-100(66-167)125(186)157-98(57-86-62-140-70-147-86)124(185)164-108(74(9)10)128(189)152-89(112(136)173)49-78-34-22-17-23-35-78/h17-31,34-43,59-62,67-77,87-100,106-111,167H,15-16,32-33,44-58,63-66,132,135H2,1-14H3,(H2,133,168)(H2,134,169)(H2,136,173)(H,137,144)(H,138,145)(H,139,146)(H,140,147)(H,141,174)(H,142,175)(H,143,188)(H,148,170)(H,149,171)(H,150,172)(H,151,179)(H,152,189)(H,153,180)(H,154,176)(H,155,182)(H,156,181)(H,157,186)(H,158,187)(H,159,190)(H,160,191)(H,161,178)(H,162,184)(H,163,183)(H,164,185)(H,165,177)(H,166,192)/t76-,77-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,106-,107-,108-,109-,110-,111-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/102066131
Citations:
  • http://aac.asm.org/content/59/3/1620.full
  • http://www.ncbi.nlm.nih.gov/pubmed/14503887

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