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117176-16-6 | L-Aspartic acid, N-(phenylmethyl)-, 1,4-bis(phenylmethyl) ester
CAS No: 117176-16-6 Catalog No: AG000DUP MDL No:
Product Description
Catalog Number:
AG000DUP
Chemical Name:
L-Aspartic acid, N-(phenylmethyl)-, 1,4-bis(phenylmethyl) ester
CAS Number:
117176-16-6
Molecular Formula:
C25H25NO4
Molecular Weight:
403.4703
IUPAC Name:
dibenzyl 2-(benzylamino)butanedioate
InChI:
InChI=1S/C25H25NO4/c27-24(29-18-21-12-6-2-7-13-21)16-23(26-17-20-10-4-1-5-11-20)25(28)30-19-22-14-8-3-9-15-22/h1-15,23,26H,16-19H2
InChI Key:
QFXDBSQLZYWOSO-UHFFFAOYSA-N
SMILES:
O=C(C[C@@H](C(=O)OCc1ccccc1)NCc1ccccc1)OCc1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.178g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.478g/mol
Monoisotopic Mass:
403.178g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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