DABCYL-LYS-HCOV-SARS REPLICASE POLYPROTEIN 1AB (3235-3246)-GLU-EDANS CAS#: 730985-86-1; 凯望编码 (ChemWhat Code): 1152201

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名DABCYL-LYS-HCOV-SARS REPLICASE POLYPROTEIN 1AB (3235-3246)-GLU-EDANS
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxo-5-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoic acid;2,2,2-trifluoroacetic acid
CAS#: 730985-86-1
分子结构Structure of DABCYL-Lys-HCoV-SARS CAS 730985-86-1
CAS编号 730985-86-1
EINECS NumberNo data available
Peptide Sequence DABCYL-LYS-THR-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-ARG-LYS-MET-GLU-EDANS
MDL NumberMFCD08458566
Beilstein Registry NumberNo data available
别名Dabcyl-KTSAVLQ/SGFRKME-Edans, Dabcyl-KTSAVLQSGFRKME-Edans
分子式C95H141N25O24S2
分子量2081.42
InChIInChI=1S/C95H141N25O24S2/c1-53(2)48-71(113-93(140)79(54(3)4)116-81(128)55(5)105-92(139)74(52-122)115-94(141)80(56(6)123)117-89(136)66(25-14-16-43-97)107-82(129)58-29-31-59(32-30-58)118-119-60-33-35-61(36-34-60)120(7)8)90(137)111-69(37-39-76(98)124)87(134)114-73(51-121)84(131)104-50-77(125)106-72(49-57-20-11-10-12-21-57)91(138)109-67(27-19-44-103-95(99)100)86(133)108-65(24-13-15-42-96)85(132)112-70(41-47-145-9)88(135)110-68(38-40-78(126)127)83(130)102-46-45-101-64-26-17-23-63-62(64)22-18-28-75(63)146(142,143)144/h10-12,17-18,20-23,26,28-36,53-56,65-74,79-80,101,121-123H,13-16,19,24-25,27,37-52,96-97H2,1-9H3,(H2,98,124)(H,102,130)(H,104,131)(H,105,139)(H,106,125)(H,107,129)(H,108,133)(H,109,138)(H,110,135)(H,111,137)(H,112,132)(H,113,140)(H,114,134)(H,115,141)(H,116,128)(H,117,136)(H,126,127)(H4,99,100,103)(H,142,143,144)/b119-118+/t55-,56+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-/m0/s1
InChI KeyABZBMHMSQWFOIS-NDAVYYAMSA-N
Canonical SMILESC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCNc2cccc3c2cccc3S(=O)(=O)O)NC(=O)[C@H](CCCCN)NC(=O)c4ccc(cc4)/N=N/c5ccc(cc5)N(C)C)O
Patent Information
No data available

Physical Data

AppearancePowder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)No data available
SignalNo data available
GHS Hazard StatementsNo data available
[Warning Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesNo data available
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf LifeNo data available
Market PriceUSD120/mg
Druglikeness
Lipinski rules component
分子量2081.45
logP-0.24
HBA49
HBD27
Matching Lipinski Rules1
Veber rules component
Polar Surface Area (PSA)819.56
Rotatable Bond (RotB)82
Matching Veber Rules0
Bioactivity
Pharmacokinetic
Quantitative Results
pXParameterValue (qual)Unit
4.61Km (Michaelis constant) 24.5µM
Use Pattern
DABCYL-LYS-HCOV-SARS REPLICASE POLYPROTEIN 1AB (3235-3246)-GLU-EDANS CAS#: 730985-86-1 is often used as a peptide

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