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833485-55-5 | L-Tyrosine, N-[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]-
CAS No: 833485-55-5 Catalog No: AG004SCR MDL No:
Product Description
Catalog Number:
AG004SCR
Chemical Name:
L-Tyrosine, N-[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]-
CAS Number:
833485-55-5
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C16H15NO5/c18-12-5-3-11(4-6-12)10-14(16(20)21)17-15(19)8-7-13-2-1-9-22-13/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m0/s1
InChI Key:
DQCLSPLOOOAREB-AWEZNQCLSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)/C=C/c1ccco1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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