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84891-17-8 | L-Histidine, 3-[(phenylmethoxy)methyl]-
CAS No: 84891-17-8 Catalog No: AG004VN1 MDL No:
Product Description
Catalog Number:
AG004VN1
Chemical Name:
L-Histidine, 3-[(phenylmethoxy)methyl]-
CAS Number:
84891-17-8
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
(2S)-2-amino-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C14H17N3O3/c15-13(14(18)19)6-12-7-16-9-17(12)10-20-8-11-4-2-1-3-5-11/h1-5,7,9,13H,6,8,10,15H2,(H,18,19)/t13-/m0/s1
InChI Key:
JWXIWLPUSDWKST-ZDUSSCGKSA-N
SMILES:
N[C@H](C(=O)O)Cc1cncn1COCc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Amino acid deletion products resulting from incomplete deprotection of the Boc group from Npi-benzyloxymethylhistidine residues during solid-phase peptide synthesis. | Journal of peptide science : an official publication of the European Peptide Society 20050701 |
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