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159002-15-0 | Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-
CAS No: 159002-15-0 Catalog No: AG001QE6 MDL No:MFCD09991603
Product Description
Catalog Number:
AG001QE6
Chemical Name:
Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-
CAS Number:
159002-15-0
Molecular Formula:
C16H22N2O6
Molecular Weight:
338.3557
MDL Number:
MFCD09991603
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C16H22N2O6/c1-16(2,3)24-14(21)17-9-12(13(19)20)18-15(22)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChI Key:
WJKGPJRAGHSOLM-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)CNC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.36g/mol
Monoisotopic Mass:
338.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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