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Antennapedia Peptide

CAT: 0931-TP1840-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1840-02Size:5 mg
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CAS Number
188842-14-0
Bioactivity
Antennapedia Peptide is a 16 amino acid peptide corresponding to the region within the Drosophila Antennapedia DNA binding domain that is mapped to be responsible for cellular internalization.
Smiles
C([C@@H](C(N[C@@H](CC1=CC=CC=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](CC=2C=3C(NC2)=CC=CC3)C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CCCCN)=O)=O)CCCCN)=O)CCSC)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CC(N)=O)=O)CCC(N)=O)=O)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCC(N)=O)=O)[C@H](CC)C)=O)CCCCN)=O)[C@H](CC)C)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C104H168N34O20S
Molecular Weight
2246.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Penetratin

a galparan (C107160) analog, useful as a carrier vector for hydrophilic molecule, therefore named transportan; amino acid sequence known

CAS Number188842-14-0
PubChem CID25242319
IUPAC Name(2S)-N-[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]pentanediamide
Molecular FormulaC104H169N35O19S
Molecular Weight2245.7
XLogP-4.1
Topological Polar Surface Area982
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count28
Rotatable Bond Count83
Heavy Atom Count159
Formal Charge0
Complexity4660
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C104H169N35O19S/c1-6-58(3)84(139-95(152)75(40-42-82(111)141)126-87(144)65(109)30-23-48-120-102(114)115)100(157)133-71(36-18-22-47-108)94(151)138-85(59(4)7-2)101(158)137-79(54-62-57-124-67-32-14-12-29-64(62)67)98(155)134-77(52-60-26-9-8-10-27-60)96(153)131-74(39-41-81(110)140)92(149)136-80(55-83(112)142)99(156)130-73(38-25-50-122-104(118)119)89(146)128-72(37-24-49-121-103(116)117)90(147)132-76(43-51-159-5)93(150)127-70(35-17-21-46-107)91(148)135-78(53-61-56-123-66-31-13-11-28-63(61)66)97(154)129-69(34-16-20-45-106)88(145)125-68(86(113)143)33-15-19-44-105/h8-14,26-29,31-32,56-59,65,68-80,84-85,123-124H,6-7,15-25,30,33-55,105-109H2,1-5H3,(H2,110,140)(H2,111,141)(H2,112,142)(H2,113,143)(H,125,145)(H,126,144)(H,127,150)(H,128,146)(H,129,154)(H,130,156)(H,131,153)(H,132,147)(H,133,157)(H,134,155)(H,135,148)(H,136,149)(H,137,158)(H,138,151)(H,139,152)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t58-,59-,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-/m0/s1
InChIKey
MCYTYTUNNNZWOK-LCLOTLQISA-N
Chemical Structure
2D Structure
2D structure of Penetratin
CAS: 188842-14-0
CID: 25242319
Formula: C104H169N35O19S
MW: 2245.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2245.7
XLogP3-4.1
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count28
Rotatable Bond Count83
Exact Mass2245.3088243
Monoisotopic Mass2244.3054695
Topological Polar Surface Area982 Ų
Heavy Atom Count159
Formal Charge0
Complexity4660
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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