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16832-24-9

16832-24-9 | L-Histidine, 1-(phenylmethyl)-

CAS No: 16832-24-9 Catalog No: AG001Y0N MDL No:MFCD00038630

Product Description

Catalog Number:
AG001Y0N
Chemical Name:
L-Histidine, 1-(phenylmethyl)-
CAS Number:
16832-24-9
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD00038630
IUPAC Name:
(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C13H15N3O2/c14-12(13(17)18)6-11-8-16(9-15-11)7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,17,18)/t12-/m0/s1
InChI Key:
NMXSWQMJOZUQKY-LBPRGKRZSA-N
SMILES:
OC(=O)[C@H](Cc1ncn(c1)Cc1ccccc1)N

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

Title Journal
Allosteric activation of HutP protein, that regulates transcription of hut operon in Bacillus subtilis, mediated by various analogs of histidine. Nucleic acids research. Supplement (2001) 20030101

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