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N-Acetyl-L-cysteinyl-L-seryl-L-phenylalanyl-L-valyl-L-asparaginyl-L-seryl-L-alpha-glutamyl-L-phenylalanyl-L-leucyl-L-lysyl-L-prolyl-L-alpha-glutamyl-L-valyl-L-lysyl-L-serine

HCID 71308577
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Basic information

CAS
155773-76-5
Standard SMILES
CC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C
InChIKey
URBJSHDJILNKFN-HKINMLJPSA-N
Molecular formula
C79H122N18O25S
Average molar mass
1,756 g/mol
Monoisotopic mass
1,754.85492262

Names & identifiers

Preferred name
N-Acetyl-L-cysteinyl-L-seryl-L-phenylalanyl-L-valyl-L-asparaginyl-L-seryl-L-alpha-glutamyl-L-phenylalanyl-L-leucyl-L-lysyl-L-prolyl-L-alpha-glutamyl-L-valyl-L-lysyl-L-serine
IUPAC
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
English name
PROTEIN KINASE C B2 PEPTIDE
Molecular formula
C79H122N18O25S
Molecular weight
1755.98

Names & synonyms

155773-76-5N-Acetyl-L-cysteinyl-L-seryl-L-phenylalanyl-L-valyl-L-asparaginyl-L-seryl-L-alpha-glutamyl-L-phenylalanyl-L-leucyl-L-lysyl-L-prolyl-L-alpha-glutamyl-L-valyl-L-lysyl-L-serineDTXSID50745575Protein Kinase Cbeta2 Peptide, lyophilized powderPKC β2nPKC-zetaProtein KinaseCβ2 PeptidePROTEIN KINASE C B2 PEPTIDEANTI-PKC ZETA(N-TERMINAL) antibody produced in rabbitCys-Ser-Phe-Val-Asn-Ser-Glu-Phe-Leu-Lys-Pro-Glu-Val-Lys-SerCys-Ser-Phe-Val-Asn-Ser-Glu-Phe-Leu-Lys-Pro-Glu-Val-Lys-Ser, PKC β2L-Serine, N-acetyl-L-cysteinyl-L-seryl-L-phenylalanyl-L-valyl-L-asparaginyl-L-seryl-L-α-glutamyl-L-phenylalanyl-L-leucyl-L-lysyl-L-prolyl-L-α-glutamyl-L-valyl-L-lysyl- (9CI)

Database identifiers

CAS
155773-76-5
PubChem CID
71308577
DTXSID
DTXSID50745575
EC Number
633-870-0

Properties

Computed structural properties

XLogP
-8.1
Topological polar surface area
696 Ų
Hydrogen bond donors
24
Hydrogen bond acceptors
28
Rotatable bonds
57
Heavy atoms
123
Formal charge
0
Complexity
3,570

Physicochemical properties

Boiling point
2040.8 · 2040.8±65.0 °C(Predicted)
Density
1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
form
lyophilized powder
pka
2.98 · 2.98±0.10(Predicted)
biological source
rabbit
UNSPSC Code
12352203 · 12352203
NACRES
41 · NA.41
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H312-H319-H302-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Hazard Codes
Xn
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
Storage Class
12 · 12 - Non Combustible Liquids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36
Storage Class
12 - Non Combustible Liquids
Hazard statements
H315-H312-H319-H302-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501

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Compound notes

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