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15852-46-7 | L-Tyrosine, N-acetyl-L-phenylalanyl-, methyl ester
CAS No: 15852-46-7 Catalog No: AG001Q9Z MDL No:
Product Description
Catalog Number:
AG001Q9Z
Chemical Name:
L-Tyrosine, N-acetyl-L-phenylalanyl-, methyl ester
CAS Number:
15852-46-7
Molecular Formula:
C21H24N2O5
Molecular Weight:
384.4257
IUPAC Name:
methyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C21H24N2O5/c1-14(24)22-18(12-15-6-4-3-5-7-15)20(26)23-19(21(27)28-2)13-16-8-10-17(25)11-9-16/h3-11,18-19,25H,12-13H2,1-2H3,(H,22,24)(H,23,26)
InChI Key:
SZTWVDLUDLZHBU-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C
NSC Number:
337571
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.432g/mol
Monoisotopic Mass:
384.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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