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180080-07-3 | L-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS No: 180080-07-3 Catalog No: AG0021OH MDL No:
Product Description
Catalog Number:
AG0021OH
Chemical Name:
L-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
180080-07-3
Molecular Formula:
C18H28N2O4
Molecular Weight:
336.4259
IUPAC Name:
tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C18H28N2O4/c1-17(2,3)23-15(21)14(20-16(22)24-18(4,5)6)11-12-7-9-13(19)10-8-12/h7-10,14H,11,19H2,1-6H3,(H,20,22)/t14-/m0/s1
InChI Key:
LQKGPNIRNXMQCA-AWEZNQCLSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)N)NC(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.432g/mol
Monoisotopic Mass:
336.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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