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13726-85-7 | Boc-Gln-OH
CAS No: 13726-85-7 Catalog No: AG003OGV MDL No:MFCD00065571
Product Description
Catalog Number:
AG003OGV
Chemical Name:
Boc-Gln-OH
CAS Number:
13726-85-7
Molecular Formula:
C10H18N2O5
Molecular Weight:
246.2603
MDL Number:
MFCD00065571
IUPAC Name:
(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
InChI Key:
VVNYDCGZZSTUBC-LURJTMIESA-N
SMILES:
NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
EC Number:
237-296-8
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.263g/mol
Monoisotopic Mass:
246.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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