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117176-15-5 | L-Aspartic acid, N-(phenylmethyl)-, 1-(phenylmethyl) ester
CAS No: 117176-15-5 Catalog No: AG000DUQ MDL No:
Product Description
Catalog Number:
AG000DUQ
Chemical Name:
L-Aspartic acid, N-(phenylmethyl)-, 1-(phenylmethyl) ester
CAS Number:
117176-15-5
Molecular Formula:
C18H18NO4-
Molecular Weight:
312.3398
IUPAC Name:
3-(benzylamino)-4-oxo-4-phenylmethoxybutanoate
InChI:
InChI=1S/C18H19NO4/c20-17(21)11-16(19-12-14-7-3-1-4-8-14)18(22)23-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/p-1
InChI Key:
GBJVGEDAQANULN-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C[C@@H](C(=O)OCc1ccccc1)NCc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.124g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.345g/mol
Monoisotopic Mass:
312.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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