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113850-76-3 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-, methyl ester
CAS No: 113850-76-3 Catalog No: AG0009WU MDL No:MFCD07366813
Product Description
Catalog Number:
AG0009WU
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-, methyl ester
CAS Number:
113850-76-3
Molecular Formula:
C15H20INO4
Molecular Weight:
405.2281
MDL Number:
MFCD07366813
IUPAC Name:
methyl (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChI Key:
HNCUXLSIVYDGBW-LBPRGKRZSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)I)NC(=O)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.232g/mol
Monoisotopic Mass:
405.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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