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137582-40-2 | Phenylalanine, α-(phenylmethyl)-, methyl ester
CAS No: 137582-40-2 Catalog No: AG0013L1 MDL No:MFCD07772127
Product Description
Catalog Number:
AG0013L1
Chemical Name:
Phenylalanine, α-(phenylmethyl)-, methyl ester
CAS Number:
137582-40-2
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
MDL Number:
MFCD07772127
IUPAC Name:
methyl 2-amino-2-benzyl-3-phenylpropanoate
InChI:
InChI=1S/C17H19NO2/c1-20-16(19)17(18,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3
InChI Key:
INZREICDVRSJDB-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccccc1)(Cc1ccccc1)N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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