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Temporin-GHc

CAT: 0931-TP2635-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2635-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2755770-49-9
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Temporin-GHc exhibits antibacterial activity with an MBIC50 of 6 μM and antibiofilm activity with an MBEC50 of 25 μM at 24 h [1].
Smiles
[C@H](CC1=CN=CN1)(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](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(O)=O)=O)[C@H](CC)C)=O)=O)[C@@H](C)O)=O)CC(C)C)=O)C)=O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)NC([C@@H](NC([C@@H](NC([C@H](CC4=CC=CC=C4)N)=O)CC(C)C)=O)CCC(N)=O)=O
Molecular Formula
C74H112N18O16
Molecular Weight
1509.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Temporin-GHc
CAS Number2755770-49-9
PubChem CID171714268
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC74H112N18O16
Molecular Weight1509.8
XLogP1.1
Topological Polar Surface Area533
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count47
Heavy Atom Count108
Formal Charge0
Complexity2970
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C74H112N18O16/c1-13-41(8)59(91-72(105)61(43(10)15-3)90-68(101)54(32-48-34-77-37-80-48)86-65(98)51(26-27-57(76)94)83-66(99)52(28-39(4)5)85-64(97)50(75)30-46-22-18-16-19-23-46)70(103)79-36-58(95)82-44(11)63(96)84-53(29-40(6)7)67(100)92-62(45(12)93)73(106)87-55(33-49-35-78-38-81-49)69(102)89-60(42(9)14-2)71(104)88-56(74(107)108)31-47-24-20-17-21-25-47/h16-25,34-35,37-45,50-56,59-62,93H,13-15,26-33,36,75H2,1-12H3,(H2,76,94)(H,77,80)(H,78,81)(H,79,103)(H,82,95)(H,83,99)(H,84,96)(H,85,97)(H,86,98)(H,87,106)(H,88,104)(H,89,102)(H,90,101)(H,91,105)(H,92,100)(H,107,108)/t41-,42-,43-,44-,45+,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-,62-/m0/s1
InChIKey
UCISLTKZVWMBPM-FKQTUPNNSA-N
Chemical Structure
2D Structure
2D structure of Temporin-GHc
CAS: 2755770-49-9
CID: 171714268
Formula: C74H112N18O16
MW: 1509.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1509.8
XLogP31.1
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count47
Exact Mass1508.85036956
Monoisotopic Mass1508.85036956
Topological Polar Surface Area533 Ų
Heavy Atom Count108
Formal Charge0
Complexity2970
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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