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About This Item
Empirical Formula (Hill Notation):
C4H9NO2
CAS Number:
Molecular Weight:
103.12
Beilstein:
1720922
MDL number:
UNSPSC Code:
12352209
eCl@ss:
32160406
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
≥98.0% (TLC)
form
powder
reaction suitability
reaction type: solution phase peptide synthesis
color
colorless to white
application(s)
peptide synthesis
SMILES string
CN[C@@H](C)C(O)=O
InChI
1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChI key
GDFAOVXKHJXLEI-VKHMYHEASA-N
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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The 600 MHz proton n.m.r. spectra of (sarcosyl7)-oxytocin and (N-methylalanyl7) oxytocin in 2H2O solution have been recorded and completely assigned. In each case the spectrum indicates the presence of two slowly interconverting conformers, which are the cis-trans isomers about the
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Eight analogues of oxytocin and arginine-vasopressin were synthesized, in which the proline residue in position 7 was replaced by either sarcosine or N-methylalanine; some of the pharmacological properties of these analogues were evaluated. In peptides containing a beta-mercaptopropionic acid residue
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Novel metabolites distinct from canonical pathways can be identified through the integration of three cheminformatics tools: BinVestigate, which queries the BinBase gas chromatography-mass spectrometry (GC-MS) metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a
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