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825637-81-8 | L-Tyrosine, N-(1-oxononenyl)-
CAS No: 825637-81-8 Catalog No: AG0053M2 MDL No:
Product Description
Catalog Number:
AG0053M2
Chemical Name:
L-Tyrosine, N-(1-oxononenyl)-
CAS Number:
825637-81-8
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(non-2-enoylamino)propanoic acid
InChI:
InChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-17(21)19-16(18(22)23)13-14-9-11-15(20)12-10-14/h7-12,16,20H,2-6,13H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1
InChI Key:
YVGYKPAMVHJZHX-INIZCTEOSA-N
SMILES:
CCCCCCC=CC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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