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190190-49-9 | 1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS No: 190190-49-9 Catalog No: AG002EE1 MDL No:MFCD01076281
Product Description
Catalog Number:
AG002EE1
Chemical Name:
1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS Number:
190190-49-9
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
MDL Number:
MFCD01076281
IUPAC Name:
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-1-ylbutanoic acid
InChI:
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChI Key:
JXDXPRAUFACOHG-OAHLLOKOSA-N
SMILES:
OC(=O)C[C@@H](Cc1cccc2c1cccc2)NC(=O)OC(C)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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