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176896-73-4 | 2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (αS)-
CAS No: 176896-73-4 Catalog No: AG0024Y2 MDL No:
Product Description
Catalog Number:
AG0024Y2
Chemical Name:
2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (αS)-
CAS Number:
176896-73-4
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
InChI:
InChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-16(17(21)23-4)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11,16H,12H2,1-4H3,(H,20,22)/t16-/m0/s1
InChI Key:
GUZJZIQXCBCAGJ-INIZCTEOSA-N
SMILES:
COC(=O)[C@H](Cc1ccc2c(c1)cccc2)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:
1
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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