200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 117176-17-7
117176-17-7 | L-Aspartic acid, N-(phenylmethyl)-, 4-(phenylmethyl) ester
CAS No: 117176-17-7 Catalog No: AG000DUO MDL No:
Product Description
Catalog Number:
AG000DUO
Chemical Name:
L-Aspartic acid, N-(phenylmethyl)-, 4-(phenylmethyl) ester
CAS Number:
117176-17-7
Molecular Formula:
C18H18NO4-
Molecular Weight:
312.3398
IUPAC Name:
2-(benzylamino)-4-oxo-4-phenylmethoxybutanoate
InChI:
InChI=1S/C18H19NO4/c20-17(23-13-15-9-5-2-6-10-15)11-16(18(21)22)19-12-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,21,22)/p-1
InChI Key:
OPSWZGYYJHFIBN-UHFFFAOYSA-M
SMILES:
O=C(C[C@@H](C(=O)[O-])NCc1ccccc1)OCc1ccccc1
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.