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210529-01-4 | D-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-(triphenylmethyl)-
CAS No: 210529-01-4 Catalog No: AG002KTZ MDL No:MFCD00153300
Product Description
Catalog Number:
AG002KTZ
Chemical Name:
D-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-(triphenylmethyl)-
CAS Number:
210529-01-4
Molecular Formula:
C28H30N2O5
Molecular Weight:
474.5482
MDL Number:
MFCD00153300
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoic acid
InChI:
InChI=1S/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m1/s1
InChI Key:
PYGOCFDOBSXROC-HSZRJFAPSA-N
SMILES:
O=C(N(C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C(=O)O)CC(=O)N)OC(C)(C)C
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
474.215g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
474.557g/mol
Monoisotopic Mass:
474.215g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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