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820220-53-9 | L-Phenylalanine, N-acetyl-L-seryl-
CAS No: 820220-53-9 Catalog No: AG005E1X MDL No:
Product Description
Catalog Number:
AG005E1X
Chemical Name:
L-Phenylalanine, N-acetyl-L-seryl-
CAS Number:
820220-53-9
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
IUPAC Name:
(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C14H18N2O5/c1-9(18)15-12(8-17)13(19)16-11(14(20)21)7-10-5-3-2-4-6-10/h2-6,11-12,17H,7-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t11-,12-/m0/s1
InChI Key:
MGCQYONMKWBSKL-RYUDHWBXSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
294.307g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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