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119959-59-0 | L-Tyrosine, N-(1-oxotetradecyl)-
CAS No: 119959-59-0 Catalog No: AG000PX2 MDL No:
Product Description
Catalog Number:
AG000PX2
Chemical Name:
L-Tyrosine, N-(1-oxotetradecyl)-
CAS Number:
119959-59-0
Molecular Formula:
C23H37NO4
Molecular Weight:
391.5442
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(tetradecanoylamino)propanoic acid
InChI:
InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(26)24-21(23(27)28)18-19-14-16-20(25)17-15-19/h14-17,21,25H,2-13,18H2,1H3,(H,24,26)(H,27,28)/t21-/m0/s1
InChI Key:
JWVQCQGVVNUXFW-NRFANRHFSA-N
SMILES:
CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
391.272g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.552g/mol
Monoisotopic Mass:
391.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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