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14464-17-6 | L-Aspartic acid, N,N-bis(phenylmethyl)-
CAS No: 14464-17-6 Catalog No: AG001JWH MDL No:
Product Description
Catalog Number:
AG001JWH
Chemical Name:
L-Aspartic acid, N,N-bis(phenylmethyl)-
CAS Number:
14464-17-6
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
IUPAC Name:
(2S)-2-(dibenzylamino)butanedioic acid
InChI:
InChI=1S/C18H19NO4/c20-17(21)11-16(18(22)23)19(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChI Key:
ZDONYOIFQFPLBP-INIZCTEOSA-N
SMILES:
OC(=O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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