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825637-80-7 | L-Tyrosine, N-(1-oxooctenyl)-
CAS No: 825637-80-7 Catalog No: AG0053M3 MDL No:
Product Description
Catalog Number:
AG0053M3
Chemical Name:
L-Tyrosine, N-(1-oxooctenyl)-
CAS Number:
825637-80-7
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(oct-2-enoylamino)propanoic acid
InChI:
InChI=1S/C17H23NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h6-11,15,19H,2-5,12H2,1H3,(H,18,20)(H,21,22)/t15-/m0/s1
InChI Key:
UJRYIMRZRHNYEJ-HNNXBMFYSA-N
SMILES:
CCCCCC=CC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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