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87990-50-9 | Phenylalanine, N-[4-[1-methyl-1-(4-methylcyclohexyl)ethoxy]phenyl]-
CAS No: 87990-50-9 Catalog No: AG004HQY MDL No:
Product Description
Catalog Number:
AG004HQY
Chemical Name:
Phenylalanine, N-[4-[1-methyl-1-(4-methylcyclohexyl)ethoxy]phenyl]-
CAS Number:
87990-50-9
Molecular Formula:
C25H33NO3
Molecular Weight:
395.5344
IUPAC Name:
(2S)-2-[4-[2-(4-methylcyclohexyl)propan-2-yloxy]anilino]-3-phenylpropanoic acid
InChI:
InChI=1S/C25H33NO3/c1-18-9-11-20(12-10-18)25(2,3)29-22-15-13-21(14-16-22)26-23(24(27)28)17-19-7-5-4-6-8-19/h4-8,13-16,18,20,23,26H,9-12,17H2,1-3H3,(H,27,28)/t18?,20?,23-/m0/s1
InChI Key:
VILAJMUMNODMHB-PXLSRWGNSA-N
SMILES:
CC1CCC(CC1)C(Oc1ccc(cc1)N[C@H](C(=O)O)Cc1ccccc1)(C)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
395.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.543g/mol
Monoisotopic Mass:
395.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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