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Boc-cit-onp

CAS No.:
56612-88-5
Catalog Number:
AG00EJ00
Molecular Formula:
C17H24N4O7
Molecular Weight:
396.3951
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (TLC)
1 week
United States
$126
- +
1g
≥ 98% (TLC)
1 week
United States
$213
- +
5g
≥ 98% (TLC)
1 week
United States
$696
- +
Product Description
Catalog Number:
AG00EJ00
Chemical Name:
Boc-cit-onp
CAS Number:
56612-88-5
Molecular Formula:
C17H24N4O7
Molecular Weight:
396.3951
MDL Number:
MFCD00076998
IUPAC Name:
(4-nitrophenyl) (2S)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
InChI:
InChI=1S/C17H24N4O7/c1-17(2,3)28-16(24)20-13(5-4-10-19-15(18)23)14(22)27-12-8-6-11(7-9-12)21(25)26/h6-9,13H,4-5,10H2,1-3H3,(H,20,24)(H3,18,19,23)/t13-/m0/s1
InChI Key:
PMMYKHSVTAQXLJ-ZDUSSCGKSA-N
SMILES:
NC(=O)NCCC[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
563  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
396.164g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
396.4g/mol
Monoisotopic Mass:
396.164g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties