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88874-25-3 | L-Phenylalanine, N-[N-[3-(2-furanyl)-1-oxo-2-propenyl]glycyl]-
CAS No: 88874-25-3 Catalog No: AG004A2N MDL No:
Product Description
Catalog Number:
AG004A2N
Chemical Name:
L-Phenylalanine, N-[N-[3-(2-furanyl)-1-oxo-2-propenyl]glycyl]-
CAS Number:
88874-25-3
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
IUPAC Name:
(2S)-2-[[2-[3-(furan-2-yl)prop-2-enoylamino]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C18H18N2O5/c21-16(9-8-14-7-4-10-25-14)19-12-17(22)20-15(18(23)24)11-13-5-2-1-3-6-13/h1-10,15H,11-12H2,(H,19,21)(H,20,22)(H,23,24)/t15-/m0/s1
InChI Key:
FFVDBRDCSSGSIQ-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)CNC(=O)C=Cc1ccco1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.351g/mol
Monoisotopic Mass:
342.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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