Home Carbonyls (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine

(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine

CAS No.:
96034-64-9
Catalog Number:
AG00IJRC
Molecular Formula:
C15H19N3O5S
Molecular Weight:
353.3935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%
In Stock USA
United States
$54
- +
100mg
98%
In Stock USA
United States
$82
- +
250mg
98%
In Stock USA
United States
$137
- +
1g
98%
In Stock USA
United States
$255
- +
5g
98%
In Stock USA
United States
$839
- +
Product Description
Catalog Number:
AG00IJRC
Chemical Name:
(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
CAS Number:
96034-64-9
Molecular Formula:
C15H19N3O5S
Molecular Weight:
353.3935
MDL Number:
MFCD08063348
IUPAC Name:
(4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3/t12-,13-/m0/s1
InChI Key:
VGLBNJWGUYQZHD-STQMWFEESA-N
SMILES:
S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)N(C)C
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.105g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
353.393g/mol
Monoisotopic Mass:
353.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties