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13716-72-8 | L-Phenylalanine, N-acetylglycyl-
CAS No: 13716-72-8 Catalog No: AG0012VW MDL No:MFCD00136459
Product Description
Catalog Number:
AG0012VW
Chemical Name:
L-Phenylalanine, N-acetylglycyl-
CAS Number:
13716-72-8
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD00136459
IUPAC Name:
(2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C13H16N2O4/c1-9(16)14-8-12(17)15-11(13(18)19)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)/t11-/m0/s1
InChI Key:
FBAYGSYHUAWICL-NSHDSACASA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)CNC(=O)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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