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Home > Other Building Blocks > 88556-20-1
88556-20-1 | L-Phenylalanine, N-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-
CAS No: 88556-20-1 Catalog No: AG004EAW MDL No:
Product Description
Catalog Number:
AG004EAW
Chemical Name:
L-Phenylalanine, N-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-
CAS Number:
88556-20-1
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
(2S)-2-[3-(3-methoxyphenyl)prop-2-enoylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H19NO4/c1-24-16-9-5-8-15(12-16)10-11-18(21)20-17(19(22)23)13-14-6-3-2-4-7-14/h2-12,17H,13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChI Key:
DHTDSNVBJUZIRW-KRWDZBQOSA-N
SMILES:
COc1cccc(c1)C=CC(=O)N[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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