Home Sulfos (S)-ethyl 2-(2-benzyl-3-(4-nitrophenylsulfonyloxy)propanamido)acetate

(S)-ethyl 2-(2-benzyl-3-(4-nitrophenylsulfonyloxy)propanamido)acetate

CAS No.:
1404514-08-4
Catalog Number:
AG00IM7G
Molecular Formula:
C20H22N2O8S
Molecular Weight:
450.4623
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Product Description
Catalog Number:
AG00IM7G
Chemical Name:
(S)-ethyl 2-(2-benzyl-3-(4-nitrophenylsulfonyloxy)propanamido)acetate
CAS Number:
1404514-08-4
Molecular Formula:
C20H22N2O8S
Molecular Weight:
450.4623
MDL Number:
MFCD19443254
IUPAC Name:
ethyl 2-[[(2S)-2-benzyl-3-(4-nitrophenyl)sulfonyloxypropanoyl]amino]acetate
InChI:
InChI=1S/C20H22N2O8S/c1-2-29-19(23)13-21-20(24)16(12-15-6-4-3-5-7-15)14-30-31(27,28)18-10-8-17(9-11-18)22(25)26/h3-11,16H,2,12-14H2,1H3,(H,21,24)/t16-/m0/s1
InChI Key:
NGCLPNLBMCVPDV-INIZCTEOSA-N
SMILES:
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
702  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
450.11g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
450.462g/mol
Monoisotopic Mass:
450.11g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties