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124027-56-1 | L-Tyrosine, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 124027-56-1 Catalog No: AG000LFA MDL No:
Product Description
Catalog Number:
AG000LFA
Chemical Name:
L-Tyrosine, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
124027-56-1
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
IUPAC Name:
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)9-14(18(24)25)19-17(23)8-4-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+
InChI Key:
JRXLVUMFJASLDR-XBXARRHUSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)/C=C/c1ccc(c(c1)O)O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
343.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
343.335g/mol
Monoisotopic Mass:
343.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Caffeoylglycolic and caffeoylamino acid derivatives, halfmers of L-chicoric acid, as new HIV-1 integrase inhibitors. | European journal of medicinal chemistry 20071001 |
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