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Cys (Npys) - (Arg) 9

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Description
Cys (Npys) - (Arg) 9 is a cell penetrating peptide. Cys (Npys) - (Arg) 9 is comprised of 9 D-Arginine residues and an activated cysteine residue C (Npys) . Cys (Npys) - (Arg) 9 can be used as a carrier peptide applicable in conjugation and cell permable studies[1].
CAS Number
1417221-06-7
UNSPSC
12352209
Target
Biochemical Assay Reagents
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cys-npys-arg-9.html
Solubility
H2O
Smiles
N=C(N)NCCC[C@@H](C(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@@H](N)CSSC1=C(C=CC=N1)[N+]([O-])=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C62H118N40O12S2
Molecular Weight
1679.99
References & Citations
[1]Bilichak A, et al. Intracellular delivery of fluorescent protein into viable wheat microspores using cationic peptides. Front Plant Sci. 2015 Aug 28;6:666.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Cys(Npys)-(Arg)9
CAS Number1417221-06-7
PubChem CID131847842
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanamide
Molecular FormulaC62H118N40O12S2
Molecular Weight1680.0
XLogP-10.1
Topological Polar Surface Area997
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count25
Rotatable Bond Count68
Heavy Atom Count116
Formal Charge0
Complexity3290
SMILES
C1=CC(=C(N=C1)SSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)N)[N+](=O)[O-]
InChI
InChI=1S/C62H118N40O12S2/c63-32(31-115-116-53-42(102(113)114)20-10-21-83-53)44(104)94-34(12-2-23-85-55(67)68)46(106)96-36(14-4-25-87-57(71)72)48(108)98-38(16-6-27-89-59(75)76)50(110)100-40(18-8-29-91-61(79)80)52(112)101-41(19-9-30-92-62(81)82)51(111)99-39(17-7-28-90-60(77)78)49(109)97-37(15-5-26-88-58(73)74)47(107)95-35(13-3-24-86-56(69)70)45(105)93-33(43(64)103)11-1-22-84-54(65)66/h10,20-21,32-41H,1-9,11-19,22-31,63H2,(H2,64,103)(H,93,105)(H,94,104)(H,95,107)(H,96,106)(H,97,109)(H,98,108)(H,99,111)(H,100,110)(H,101,112)(H4,65,66,84)(H4,67,68,85)(H4,69,70,86)(H4,71,72,87)(H4,73,74,88)(H4,75,76,89)(H4,77,78,90)(H4,79,80,91)(H4,81,82,92)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey
IJZUWTDQAPPMMA-CJSHHNLHSA-N
Chemical Structure
2D Structure
2D structure of Cys(Npys)-(Arg)9
CAS: 1417221-06-7
CID: 131847842
Formula: C62H118N40O12S2
MW: 1680.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1680.0
XLogP3-10.1
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count25
Rotatable Bond Count68
Exact Mass1678.9294317
Monoisotopic Mass1678.9294317
Topological Polar Surface Area997 Ų
Heavy Atom Count116
Formal Charge0
Complexity3290
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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