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32999-55-6

32999-55-6 | 1H-Indole-3-propanoic acid, α-amino-2,3-dihydro-2-oxo-

CAS No: 32999-55-6 Catalog No: AG001RNX MDL No:MFCD10037691

Product Description

Catalog Number:
AG001RNX
Chemical Name:
1H-Indole-3-propanoic acid, α-amino-2,3-dihydro-2-oxo-
CAS Number:
32999-55-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD10037691
IUPAC Name:
2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
InChI:
InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16)
InChI Key:
SFJCKRJKEWLPTL-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC1C(=O)Nc2c1cccc2)N
NSC Number:
378536

Properties

Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  

Literature

Title Journal
Identification of isomeric 5-hydroxytryptophan- and oxindolylalanine-containing peptides by mass spectrometry. Journal of mass spectrometry : JMS 20120401
Mass spectrometric characterization of peptides containing different oxidized tryptophan residues. Journal of mass spectrometry : JMS 20111001
Synthesis of peptides containing 5-hydroxytryptophan, oxindolylalanine, N-formylkynurenine and kynurenine. Journal of peptide science : an official publication of the European Peptide Society 20110401
Indole can act as an extracellular signal to regulate biofilm formation of Escherichia coli and other indole-producing bacteria. Canadian journal of microbiology 20030701

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