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CysHHC10

CAT: 0931-TP1663-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1663-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1408311-03-4
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
CysHHC10 is a synthetic antimicrobial peptide (AMP) that exhibits strong antimicrobial properties against both Gram-positive and Gram-negative bacteria.
Smiles
C([C@H](NC([C@@H](NC([C@H](CC=1C=2C(NC1)=CC=CC2)NC([C@H](CC=3C=4C(NC3)=CC=CC4)NC([C@@H](NC([C@@H](NC([C@H](CS)N)=O)CCCCN)=O)CCCNC(=N)N)=O)=O)=O)CCCCN)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC=5C=6C(NC5)=CC=CC6)C(N)=O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)C=7C=8C(NC7)=CC=CC8
Molecular Formula
C77H107N23O10S
Molecular Weight
1546.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CysHHC10
CAS Number1408311-03-4
PubChem CID71507988
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide
Molecular FormulaC77H107N23O10S
Molecular Weight1546.9
XLogP2.3
Topological Polar Surface Area571
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count16
Rotatable Bond Count48
Heavy Atom Count111
Formal Charge0
Complexity3070
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N
InChI
InChI=1S/C77H107N23O10S/c1-3-43(2)65(75(110)95-60(29-17-33-87-77(84)85)69(104)96-61(66(81)101)34-44-38-88-53-22-8-4-18-48(44)53)100-74(109)64(37-47-41-91-56-25-11-7-21-51(47)56)98-70(105)58(27-13-15-31-79)94-72(107)62(35-45-39-89-54-23-9-5-19-49(45)54)99-73(108)63(36-46-40-90-55-24-10-6-20-50(46)55)97-71(106)59(28-16-32-86-76(82)83)93-68(103)57(26-12-14-30-78)92-67(102)52(80)42-111/h4-11,18-25,38-41,43,52,57-65,88-91,111H,3,12-17,26-37,42,78-80H2,1-2H3,(H2,81,101)(H,92,102)(H,93,103)(H,94,107)(H,95,110)(H,96,104)(H,97,106)(H,98,105)(H,99,108)(H,100,109)(H4,82,83,86)(H4,84,85,87)/t43-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
InChIKey
PJBFDSOFZLGAIV-PMHVRGKBSA-N
Chemical Structure
2D Structure
2D structure of CysHHC10
CAS: 1408311-03-4
CID: 71507988
Formula: C77H107N23O10S
MW: 1546.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1546.9
XLogP32.3
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count16
Rotatable Bond Count48
Exact Mass1545.82919788
Monoisotopic Mass1545.82919788
Topological Polar Surface Area571 Ų
Heavy Atom Count111
Formal Charge0
Complexity3070
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19036901-01CysHHC10
HY-P1978ACysHHC10 (TFA)
MBS5789373CysHHC10 acetate
M40631CysHHC10 TFA
GTR19036876-01CysHHC10 TFA (1408311-03-4 free base)

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