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Z-Ile-onp

CAS No.:
2130-99-6
Catalog Number:
AG003VDP
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$61
- +
5g
98%(HPLC)
In Stock USA
United States
$104
- +
25g
98%(HPLC)
In Stock USA
United States
$359
- +
Product Description
Catalog Number:
AG003VDP
Chemical Name:
Z-Ile-onp
CAS Number:
2130-99-6
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
MDL Number:
MFCD00047727
IUPAC Name:
(4-nitrophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C20H22N2O6/c1-3-14(2)18(21-20(24)27-13-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)/t14-,18-/m0/s1
InChI Key:
NJDZCCJYUBNBMK-KSSFIOAISA-N
SMILES:
CC[C@@H]([C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1)C
EC Number:
218-351-5
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties