Home Carbonyls 4-nitrophenyl (2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoate

4-nitrophenyl (2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoate

CAS No.:
16948-39-3
Catalog Number:
AG00ACGN
Molecular Formula:
C21H24N2O7
Molecular Weight:
416.4245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (Elemental analysis)
1 week
United States
$96
- +
5g
≥ 99% (Elemental analysis)
1 week
United States
$257
- +
Product Description
Catalog Number:
AG00ACGN
Chemical Name:
4-nitrophenyl (2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoate
CAS Number:
16948-39-3
Molecular Formula:
C21H24N2O7
Molecular Weight:
416.4245
MDL Number:
MFCD02094732
IUPAC Name:
(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
InChI:
InChI=1S/C21H24N2O7/c1-21(2,3)30-20(25)22-18(14-28-13-15-7-5-4-6-8-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1
InChI Key:
CLAREYWIWVFFND-SFHVURJKSA-N
SMILES:
O=C([C@@H](NC(=O)OC(C)(C)C)COCc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
416.158g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
416.43g/mol
Monoisotopic Mass:
416.158g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties