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Home Aminos (S)-4-Nitrobenzyl (5-amino-6-oxo-6-(pyrrolidin-1-yl)hexyl)carbamate

(S)-4-Nitrobenzyl (5-amino-6-oxo-6-(pyrrolidin-1-yl)hexyl)carbamate

CAS No.:
136259-18-2
Catalog Number:
AG009IV7
Molecular Formula:
C18H26N4O5
Molecular Weight:
378.4228
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
98%
1 week
United States
$190
- +
Product Description
Catalog Number:
AG009IV7
Chemical Name:
(S)-4-Nitrobenzyl (5-amino-6-oxo-6-(pyrrolidin-1-yl)hexyl)carbamate
CAS Number:
136259-18-2
Molecular Formula:
C18H26N4O5
Molecular Weight:
378.4228
MDL Number:
MFCD02259686
IUPAC Name:
(4-nitrophenyl)methyl N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]carbamate
InChI:
InChI=1S/C18H26N4O5/c19-16(17(23)21-11-3-4-12-21)5-1-2-10-20-18(24)27-13-14-6-8-15(9-7-14)22(25)26/h6-9,16H,1-5,10-13,19H2,(H,20,24)/t16-/m0/s1
InChI Key:
YDYSCRZHYWLSPQ-INIZCTEOSA-N
SMILES:
O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCC[C@@H](C(=O)N1CCCC1)N
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
378.19g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.429g/mol
Monoisotopic Mass:
378.19g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Discovery of conformationally rigid 3-azabicyclo[3.1.0]hexane-derived dipeptidyl peptidase-IV inhibitors. Bioorganic & medicinal chemistry letters 20080715
Properties