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KAMP-19

CAT: 0931-T80285-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80285-02Size:50 mg
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CAS Number
1404488-98-7
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
KAMP-19 is a keratin-derived antimicrobial peptide with activity against P. aeruginosa. [1]
Smiles
[C@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)=O)CCCCN)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CNC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CNC(CNC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)C)=O)[C@H](CC)C)=O)=O)=O)=O)CC(C)C)=O)CO)=O)CO)=O)C(C)C)=O)=O)=O)=O)CO)=O)CO)=O)[C@@H](C)O)=O)[C@H](CC)C
Molecular Formula
C75H127N23O26
Molecular Weight
1766.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Ala-Ile-Gly-Gly-Gly-Leu-Ser-Ser-Val-Gly-Gly-Gly-Ser-Ser-Thr-Ile-Lys-Tyr-OH
CAS Number1404488-98-7
PubChem CID169450597
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC75H127N23O26
Molecular Weight1766.9
XLogP-10.1
Topological Polar Surface Area799
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count29
Rotatable Bond Count59
Heavy Atom Count124
Formal Charge0
Complexity3590
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C75H127N23O26/c1-11-38(7)59(96-62(111)40(9)87-63(112)44(77)16-15-23-80-75(78)79)71(120)86-29-55(108)82-26-52(105)83-30-56(109)88-46(24-36(3)4)65(114)92-49(33-100)67(116)94-50(34-101)68(117)95-58(37(5)6)70(119)85-28-54(107)81-27-53(106)84-31-57(110)89-48(32-99)66(115)93-51(35-102)69(118)98-61(41(10)103)73(122)97-60(39(8)12-2)72(121)90-45(17-13-14-22-76)64(113)91-47(74(123)124)25-42-18-20-43(104)21-19-42/h18-21,36-41,44-51,58-61,99-104H,11-17,22-35,76-77H2,1-10H3,(H,81,107)(H,82,108)(H,83,105)(H,84,106)(H,85,119)(H,86,120)(H,87,112)(H,88,109)(H,89,110)(H,90,121)(H,91,113)(H,92,114)(H,93,115)(H,94,116)(H,95,117)(H,96,111)(H,97,122)(H,98,118)(H,123,124)(H4,78,79,80)/t38-,39-,40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,58-,59-,60-,61-/m0/s1
InChIKey
BLUIWPORKUFFSK-UBZOIIOZSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Ala-Ile-Gly-Gly-Gly-Leu-Ser-Ser-Val-Gly-Gly-Gly-Ser-Ser-Thr-Ile-Lys-Tyr-OH
CAS: 1404488-98-7
CID: 169450597
Formula: C75H127N23O26
MW: 1766.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1766.9
XLogP3-10.1
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count29
Rotatable Bond Count59
Exact Mass1765.9322612
Monoisotopic Mass1765.9322612
Topological Polar Surface Area799 Ų
Heavy Atom Count124
Formal Charge0
Complexity3590
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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