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CPP2

CAT: 0931-T82671-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82671-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1313390-49-6
Bioactivity
CPP2 is a cell-penetrating peptide characterized by its high intracellular translocation efficiency [1].
Smiles
C([C@@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)=O)CO)=O)=O)CCCCN)=O)CCC(N)=O)=O)CC(C)C)=O)=O)NC([C@H](CC5=CC=C(O)C=C5)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CO)=O)CC(C)C)=O)CCCCN)=O)CO)=O)=O)C=6C=7C(NC6)=CC=CC7
Molecular Formula
C97H135N23O24
Molecular Weight
2007.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Asp-Ser-Leu-Lys-Ser-Tyr-Trp-Tyr-Leu-Gln-Lys-Phe-Ser-Trp-Arg-OH
CAS Number1313390-49-6
PubChem CID168446788
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC97H135N23O24
Molecular Weight2007.2
XLogP-5.2
Topological Polar Surface Area798
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count28
Rotatable Bond Count64
Heavy Atom Count144
Formal Charge0
Complexity4180
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C97H135N23O24/c1-52(2)39-70(87(134)109-68(34-35-80(101)126)85(132)107-66(23-12-14-36-98)83(130)113-72(41-54-17-6-5-7-18-54)90(137)120-79(51-123)95(142)117-75(44-57-47-105-64-21-10-8-19-61(57)64)91(138)110-69(96(143)144)25-16-38-104-97(102)103)111-88(135)73(42-55-26-30-59(124)31-27-55)114-92(139)76(45-58-48-106-65-22-11-9-20-62(58)65)116-89(136)74(43-56-28-32-60(125)33-29-56)115-94(141)78(50-122)119-84(131)67(24-13-15-37-99)108-86(133)71(40-53(3)4)112-93(140)77(49-121)118-82(129)63(100)46-81(127)128/h5-11,17-22,26-33,47-48,52-53,63,66-79,105-106,121-125H,12-16,23-25,34-46,49-51,98-100H2,1-4H3,(H2,101,126)(H,107,132)(H,108,133)(H,109,134)(H,110,138)(H,111,135)(H,112,140)(H,113,130)(H,114,139)(H,115,141)(H,116,136)(H,117,142)(H,118,129)(H,119,131)(H,120,137)(H,127,128)(H,143,144)(H4,102,103,104)/t63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
InChIKey
VTUXBFWQFLTFMF-LLZZNUKMSA-N
Chemical Structure
2D Structure
2D structure of H-Asp-Ser-Leu-Lys-Ser-Tyr-Trp-Tyr-Leu-Gln-Lys-Phe-Ser-Trp-Arg-OH
CAS: 1313390-49-6
CID: 168446788
Formula: C97H135N23O24
MW: 2007.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2007.2
XLogP3-5.2
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count28
Rotatable Bond Count64
Exact Mass2007.00838710
Monoisotopic Mass2006.00503227
Topological Polar Surface Area798 Ų
Heavy Atom Count144
Formal Charge0
Complexity4180
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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