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823195-91-1 | L-Tyrosine, N-(1-oxo-4-pentenyl)-
CAS No: 823195-91-1 Catalog No: AG005F60 MDL No:
Product Description
Catalog Number:
AG005F60
Chemical Name:
L-Tyrosine, N-(1-oxo-4-pentenyl)-
CAS Number:
823195-91-1
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(pent-4-enoylamino)propanoic acid
InChI:
InChI=1S/C14H17NO4/c1-2-3-4-13(17)15-12(14(18)19)9-10-5-7-11(16)8-6-10/h2,5-8,12,16H,1,3-4,9H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChI Key:
OIXIJOATZZCVJG-LBPRGKRZSA-N
SMILES:
C=CCCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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