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114117-42-9 | L-Phenylalanine, 4-(acetylamino)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 114117-42-9 Catalog No: AG000AMD MDL No:MFCD01317028
Product Description
Catalog Number:
AG000AMD
Chemical Name:
L-Phenylalanine, 4-(acetylamino)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
114117-42-9
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD01317028
IUPAC Name:
(2S)-3-(4-acetamidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H22N2O5/c1-10(19)17-12-7-5-11(6-8-12)9-13(14(20)21)18-15(22)23-16(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,22)(H,20,21)/t13-/m0/s1
InChI Key:
ZVPYVOLFCSHVSR-ZDUSSCGKSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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