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19786-36-8 | L-Tyrosine, L-prolyl-
CAS No: 19786-36-8 Catalog No: AG002B51 MDL No:MFCD00037870
Product Description
Catalog Number:
AG002B51
Chemical Name:
L-Tyrosine, L-prolyl-
CAS Number:
19786-36-8
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD00037870
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1
InChI Key:
OIDKVWTWGDWMHY-RYUDHWBXSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
Literature
| Title | Journal |
|---|---|
| Mid- and near-infrared spectra of conformers of H-Pro-Trp-OH. | The journal of physical chemistry. A 20070426 |
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