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115951-19-4 | Aspartic acid, N-[(phenylmethoxy)carbonyl]-N-(phenylmethyl)-
CAS No: 115951-19-4 Catalog No: AG000H5M MDL No:
Product Description
Catalog Number:
AG000H5M
Chemical Name:
Aspartic acid, N-[(phenylmethoxy)carbonyl]-N-(phenylmethyl)-
CAS Number:
115951-19-4
Molecular Formula:
C19H19NO6
Molecular Weight:
357.3573
IUPAC Name:
2-[benzyl(phenylmethoxycarbonyl)amino]butanedioic acid
InChI:
InChI=1S/C19H19NO6/c21-17(22)11-16(18(23)24)20(12-14-7-3-1-4-8-14)19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,22)(H,23,24)
InChI Key:
QTVZUQPYBWRUPY-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@H](N(C(=O)OCc1ccccc1)Cc1ccccc1)C(=O)O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.362g/mol
Monoisotopic Mass:
357.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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