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G (IIKK) 3I-NH2

CAT: 0804-HY-P11064Size: 1 EachDry Ice: NoHazardous: No
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Description
G (IIKK) 3I-NH2 is an antimicrobial peptide. G (IIKK) 3I-NH2 exhibits potent antibacterial activity against both Gram-negative and Gram-positive bacteria. G (IIKK) 3I-NH2 has low toxicity to primary cells and mice, and G (IIKK) 3I-NH2 is not easy to induce bacterial resistance. G (IIKK) 3I-NH2 can be used in the research of anti-infection agents[1].
CAS Number
1338598-65-4
UNSPSC
12352209
Target
Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C80H155N21O14
Molecular Weight
1635.22
References & Citations
[1]Chen C, et al. High cell selectivity and low-level antibacterial resistance of designed amphiphilic peptide G (IIKK) (3) I-NH (2) . ACS Appl Mater Interfaces. 2014 Oct 8;6 (19) :16529-36.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

G(Iikk)3I-NH2
CAS Number1338598-65-4
PubChem CID56602232
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]hexanamide
Molecular FormulaC80H155N21O14
Molecular Weight1635.2
XLogP2.8
Topological Polar Surface Area604
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count21
Rotatable Bond Count65
Heavy Atom Count115
Formal Charge0
Complexity2940
SMILES
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN
InChI
InChI=1S/C80H155N21O14/c1-15-47(8)61(68(88)103)96-72(107)57(37-25-31-43-84)89-69(104)54(34-22-28-40-81)93-76(111)64(50(11)18-4)100-79(114)66(52(13)20-6)98-74(109)59(39-27-33-45-86)91-71(106)56(36-24-30-42-83)94-77(112)65(51(12)19-5)101-80(115)67(53(14)21-7)97-73(108)58(38-26-32-44-85)90-70(105)55(35-23-29-41-82)92-75(110)63(49(10)17-3)99-78(113)62(48(9)16-2)95-60(102)46-87/h47-59,61-67H,15-46,81-87H2,1-14H3,(H2,88,103)(H,89,104)(H,90,105)(H,91,106)(H,92,110)(H,93,111)(H,94,112)(H,95,102)(H,96,107)(H,97,108)(H,98,109)(H,99,113)(H,100,114)(H,101,115)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-/m0/s1
InChIKey
MQJINNGYJPLCKW-QUIPCGDJSA-N
Chemical Structure
2D Structure
2D structure of G(Iikk)3I-NH2
CAS: 1338598-65-4
CID: 56602232
Formula: C80H155N21O14
MW: 1635.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1635.2
XLogP32.8
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count21
Rotatable Bond Count65
Exact Mass1634.20623870
Monoisotopic Mass1634.20623870
Topological Polar Surface Area604 Ų
Heavy Atom Count115
Formal Charge0
Complexity2940
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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