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13022-41-8 | L-Tyrosine, L-tyrosyl-, methyl ester
CAS No: 13022-41-8 Catalog No: AG000U6A MDL No:
Product Description
Catalog Number:
AG000U6A
Chemical Name:
L-Tyrosine, L-tyrosyl-, methyl ester
CAS Number:
13022-41-8
Molecular Formula:
C19H22N2O5
Molecular Weight:
358.3884
IUPAC Name:
methyl (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C19H22N2O5/c1-26-19(25)17(11-13-4-8-15(23)9-5-13)21-18(24)16(20)10-12-2-6-14(22)7-3-12/h2-9,16-17,22-23H,10-11,20H2,1H3,(H,21,24)/t16-,17-/m0/s1
InChI Key:
WMDIJJVEUHFXIU-IRXDYDNUSA-N
SMILES:
COC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)Cc1ccc(cc1)O
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
358.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.394g/mol
Monoisotopic Mass:
358.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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