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87991-07-9 | Tyrosine, O-methyl-N-[4-[1-methyl-1-(4-methylcyclohexyl)ethoxy]phenyl]-
CAS No: 87991-07-9 Catalog No: AG004OA3 MDL No:
Product Description
Catalog Number:
AG004OA3
Chemical Name:
Tyrosine, O-methyl-N-[4-[1-methyl-1-(4-methylcyclohexyl)ethoxy]phenyl]-
CAS Number:
87991-07-9
Molecular Formula:
C26H35NO4
Molecular Weight:
425.5604
IUPAC Name:
(2S)-3-(4-methoxyphenyl)-2-[4-[2-(4-methylcyclohexyl)propan-2-yloxy]anilino]propanoic acid
InChI:
InChI=1S/C26H35NO4/c1-18-5-9-20(10-6-18)26(2,3)31-23-15-11-21(12-16-23)27-24(25(28)29)17-19-7-13-22(30-4)14-8-19/h7-8,11-16,18,20,24,27H,5-6,9-10,17H2,1-4H3,(H,28,29)/t18?,20?,24-/m0/s1
InChI Key:
ZOPDNMINSVKFAQ-IWRZYZMASA-N
SMILES:
COc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)OC(C1CCC(CC1)C)(C)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.257g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.569g/mol
Monoisotopic Mass:
425.257g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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