Home Halogens L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester

L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester

CAS No.:
1133931-73-3
Catalog Number:
AG008TMA
Molecular Formula:
C25H31ClN2O5
Molecular Weight:
474.9770
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Product Description
Catalog Number:
AG008TMA
Chemical Name:
L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester
CAS Number:
1133931-73-3
Molecular Formula:
C25H31ClN2O5
Molecular Weight:
474.9770
MDL Number:
MFCD29472309
IUPAC Name:
benzyl (2S,5E)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxyiminohexanoate
InChI:
InChI=1S/C25H31ClN2O5/c1-25(2,3)33-24(30)27-22(23(29)31-17-19-10-6-4-7-11-19)15-14-21(16-26)28-32-18-20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3,(H,27,30)/b28-21+/t22-/m0/s1
InChI Key:
PNNFUEJDTYIUJA-ZBEKHICHSA-N
SMILES:
ClC/C(=N/OCc1ccccc1)/CC[C@@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
623  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
474.192g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
474.982g/mol
Monoisotopic Mass:
474.192g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties