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C18G

CAT: 0931-T80256-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80256-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138555-82-5
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
C18G, a synthetic α-helical peptide derived from human platelet factor IV, exhibits biological activity with pronounced antibacterial properties against Salmonella.
Smiles
[C@H](CC1=CC=C(O)C=C1)(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(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(O)=O)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)C)=O)CO)=O)CCCCN)=O)CC(C)C)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)CC(C)C)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)NC([C@@H](NC([C@H](C)N)=O)CC(C)C)=O
Molecular Formula
C98H179N25O21
Molecular Weight
2043.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Ala-Leu-Tyr-Lys-Lys-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Ser-Ala-Lys-Lys-Leu-Gly-OH
CAS Number138555-82-5
PubChem CID168510737
IUPAC Name2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Molecular FormulaC98H179N25O21
Molecular Weight2043.6
XLogP-1.2
Topological Polar Surface Area781
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count78
Heavy Atom Count144
Formal Charge0
Complexity3900
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)N
InChI
InChI=1S/C98H179N25O21/c1-56(2)47-73(84(130)107-54-81(126)127)117-88(134)69(32-18-25-43-102)110-85(131)66(29-15-22-40-99)109-83(129)63(14)108-98(144)80(55-124)123-91(137)72(35-21-28-46-105)114-93(139)76(50-59(7)8)121-96(142)78(52-61(11)12)118-89(135)70(33-19-26-44-103)111-86(132)67(30-16-23-41-100)113-92(138)75(49-58(5)6)120-95(141)77(51-60(9)10)119-90(136)71(34-20-27-45-104)112-87(133)68(31-17-24-42-101)115-97(143)79(53-64-36-38-65(125)39-37-64)122-94(140)74(48-57(3)4)116-82(128)62(13)106/h36-39,56-63,66-80,124-125H,15-35,40-55,99-106H2,1-14H3,(H,107,130)(H,108,144)(H,109,129)(H,110,131)(H,111,132)(H,112,133)(H,113,138)(H,114,139)(H,115,143)(H,116,128)(H,117,134)(H,118,135)(H,119,136)(H,120,141)(H,121,142)(H,122,140)(H,123,137)(H,126,127)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
InChIKey
CHSBEXQMNKHZIZ-HBTDCBMGSA-N
Chemical Structure
2D Structure
2D structure of H-Ala-Leu-Tyr-Lys-Lys-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Ser-Ala-Lys-Lys-Leu-Gly-OH
CAS: 138555-82-5
CID: 168510737
Formula: C98H179N25O21
MW: 2043.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2043.6
XLogP3-1.2
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count78
Exact Mass2043.37409266
Monoisotopic Mass2042.37073782
Topological Polar Surface Area781 Ų
Heavy Atom Count144
Formal Charge0
Complexity3900
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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