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124456-04-8 | D-Tyrosine, N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS No: 124456-04-8 Catalog No: AG000M1B MDL No:
Product Description
Catalog Number:
AG000M1B
Chemical Name:
D-Tyrosine, N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Number:
124456-04-8
Molecular Formula:
C18H19NO5
Molecular Weight:
329.3472
IUPAC Name:
methyl (2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C18H19NO5/c1-23-17(21)16(11-13-7-9-15(20)10-8-13)19-18(22)24-12-14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H,19,22)/t16-/m1/s1
InChI Key:
SLLMDHBKALJDBW-MRXNPFEDSA-N
SMILES:
COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.352g/mol
Monoisotopic Mass:
329.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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