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Home> Hot Product Listed W   > w-Agatoxin IVA
6422-36-2 structure

w-Agatoxin IVA

Iupac Name:(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
CAS No.:6422-36-2
Molecular Weight:186.211
Molecular Formula:C23H35NO2 (isomer)
Names and Identifiers
Synonyms

961:PN: WO2006116156 SEQID: 959 claimed protein GLU-ASP-ASN-CYS-ILE-ALA-GLU-ASP-TYR-GLY-LYS-CYS-THR-TRP-GLY-GLY-THR-LYS-CYS-CYS-ARG-GLY-ARG-PRO-CYS-ARG-CYS-SER-MET-ILE-GLY-THR-ASN-CYS-GLU-CYS-THR-PRO-ARG-LEU-ILE-MET-GLU-GLY-LEU-D-SER-PHE-ALA OMEGA-AGA-IVB OMEGA-AGA-TK OMEGA-AGATOXIN TK OMEGA-AGATOXIN TK (P-TYPE BLOCKER) OMEGA-AGATOXIN TK, AGELENOPSIS APERTA SNX 290 w-Aga-IV A w-Agatoxin IV A (funnel-web spidervenom)

Inchi
InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChkey
FELJDCNGZFDUNR-WDSKDSINSA-N
Canonical Smiles
CC(C(=O)O)NC(=O)C1CCCN1
Properties
Density
g/cm3
Boiling Point
368.2°Cat760mmHg
Refractive Index
1.505
Storage temp
−20°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:186.211g/mol
  • Molecular Formula:C23H35NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.7
  • Exact Mass:186.1
  • Monoisotopic Mass:186.1
  • Complexity:217
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:78.4A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCALAAgAI AAGQGAAAAAAAAAAAAIGIAAACQBIAgCAUQAAAFgCQAAAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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