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15149-72-1 | L-Tyrosine, N-[(phenylmethoxy)carbonyl]-L-valyl-, methyl ester
CAS No: 15149-72-1 Catalog No: AG001NDA MDL No:MFCD00020191
Product Description
Catalog Number:
AG001NDA
Chemical Name:
L-Tyrosine, N-[(phenylmethoxy)carbonyl]-L-valyl-, methyl ester
CAS Number:
15149-72-1
Molecular Formula:
C23H28N2O6
Molecular Weight:
428.4782
MDL Number:
MFCD00020191
IUPAC Name:
methyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
InChI:
InChI=1S/C23H28N2O6/c1-15(2)20(25-23(29)31-14-17-7-5-4-6-8-17)21(27)24-19(22(28)30-3)13-16-9-11-18(26)12-10-16/h4-12,15,19-20,26H,13-14H2,1-3H3,(H,24,27)(H,25,29)
InChI Key:
SWPXBDJUGLEKES-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1
NSC Number:
89592
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.485g/mol
Monoisotopic Mass:
428.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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