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129446-71-5 | L-Glutamic acid, 4-(phenylmethyl)-, (4S)-
CAS No: 129446-71-5 Catalog No: AG000Z51 MDL No:
Product Description
Catalog Number:
AG000Z51
Chemical Name:
L-Glutamic acid, 4-(phenylmethyl)-, (4S)-
CAS Number:
129446-71-5
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
(2S,4S)-2-amino-4-benzylpentanedioic acid
InChI:
InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChI Key:
ATCFYQUZTYQTJN-UWVGGRQHSA-N
SMILES:
N[C@H](C(=O)O)C[C@@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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