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87590-01-0 | L-Tyrosine, N-[3-(3-chlorophenyl)-1-oxopropyl]-
CAS No: 87590-01-0 Catalog No: AG004PWL MDL No:
Product Description
Catalog Number:
AG004PWL
Chemical Name:
L-Tyrosine, N-[3-(3-chlorophenyl)-1-oxopropyl]-
CAS Number:
87590-01-0
Molecular Formula:
C18H18ClNO4
Molecular Weight:
347.7928
IUPAC Name:
(2S)-2-[3-(3-chlorophenyl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C18H18ClNO4/c19-14-3-1-2-12(10-14)6-9-17(22)20-16(18(23)24)11-13-4-7-15(21)8-5-13/h1-5,7-8,10,16,21H,6,9,11H2,(H,20,22)(H,23,24)/t16-/m0/s1
InChI Key:
RCQSRBNFSVQCMD-INIZCTEOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)CCc1cccc(c1)Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.795g/mol
Monoisotopic Mass:
347.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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