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Cathelicidin-2 (chicken)

CAT: 0931-TP3487-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3487-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1149347-67-0
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Cathelicidin-2 chicken is an antimicrobial peptide exhibiting potent bactericidal and fungicidal activity specifically against Salmonella strains isolated from chickens.
Smiles
C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC(CNC([C@H](CC3=CC=CC=C3)NC([C@H](CCCNC(=N)N)N)=O)=O)=O)CCCNC(=N)N)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCCN)=O)[C@H](CC)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)CCCNC(=N)N)(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC5=CC=CC=C5)C(N)=O)=O)CCCNC(=N)N)=O)C)=O)CO)=O)=O)CCC(N)=O)=O)[C@H](CC)C)=O)[C@@H](C)O)=O)[C@H](CC)C)=O)[C@@H](C)O)=O)[C@H](C)C)=O)CCCCN)=O)CCC4
Molecular Formula
C147H245N51O30
Molecular Weight
3206.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cathelicidin-2 chicken
CAS Number1149347-67-0
PubChem CID171361286
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
Molecular FormulaC147H245N51O30
Molecular Weight3206.8
XLogP-5.3
Topological Polar Surface Area1380
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count40
Rotatable Bond Count116
Heavy Atom Count228
Formal Charge0
Complexity7200
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C147H245N51O30/c1-14-81(8)112(193-128(216)93(50-29-31-61-148)180-123(211)96(54-36-66-170-144(159)160)182-129(217)102(71-79(4)5)189-131(219)105(75-90-47-27-20-28-48-90)190-122(210)92(52-34-64-168-142(155)156)177-109(203)76-175-121(209)103(73-88-43-23-18-24-44-88)188-119(207)91(150)49-33-63-167-141(153)154)135(223)184-98(56-38-68-172-146(163)164)124(212)181-97(55-37-67-171-145(161)162)126(214)191-104(74-89-45-25-19-26-46-89)130(218)186-100(57-39-69-173-147(165)166)140(228)198-70-40-58-107(198)133(221)183-94(51-30-32-62-149)127(215)192-111(80(6)7)134(222)196-115(85(12)200)138(226)195-114(83(10)16-3)137(225)197-116(86(13)201)139(227)194-113(82(9)15-2)136(224)185-99(59-60-108(151)202)120(208)174-77-110(204)178-106(78-199)132(220)176-84(11)118(206)179-95(53-35-65-169-143(157)158)125(213)187-101(117(152)205)72-87-41-21-17-22-42-87/h17-28,41-48,79-86,91-107,111-116,199-201H,14-16,29-40,49-78,148-150H2,1-13H3,(H2,151,202)(H2,152,205)(H,174,208)(H,175,209)(H,176,220)(H,177,203)(H,178,204)(H,179,206)(H,180,211)(H,181,212)(H,182,217)(H,183,221)(H,184,223)(H,185,224)(H,186,218)(H,187,213)(H,188,207)(H,189,219)(H,190,210)(H,191,214)(H,192,215)(H,193,216)(H,194,227)(H,195,226)(H,196,222)(H,197,225)(H4,153,154,167)(H4,155,156,168)(H4,157,158,169)(H4,159,160,170)(H4,161,162,171)(H4,163,164,172)(H4,165,166,173)/t81-,82-,83-,84-,85+,86+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,111-,112-,113-,114-,115-,116-/m0/s1
InChIKey
BUPBVECPHSEFBK-PDVAFMGESA-N
Chemical Structure
2D Structure
2D structure of Cathelicidin-2 chicken
CAS: 1149347-67-0
CID: 171361286
Formula: C147H245N51O30
MW: 3206.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3206.8
XLogP3-5.3
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count40
Rotatable Bond Count116
Exact Mass3205.9247004
Monoisotopic Mass3204.9213456
Topological Polar Surface Area1380 Ų
Heavy Atom Count228
Formal Charge0
Complexity7200
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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