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116194-21-9 | Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 116194-21-9 Catalog No: AG000BV9 MDL No:MFCD00237550
Product Description
Catalog Number:
AG000BV9
Chemical Name:
Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
116194-21-9
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD00237550
IUPAC Name:
(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChI Key:
QJCNLJWUIOIMMF-YUMQZZPRSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
EC Number:
236-074-8
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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