Home Nitros S-Benzyl-L-cysteine-4-nitroaniline

S-Benzyl-L-cysteine-4-nitroaniline

CAS No.:
7436-62-6
Catalog Number:
AG008QDW
Molecular Formula:
C16H17N3O3S
Molecular Weight:
331.3895
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG008QDW
Chemical Name:
S-Benzyl-L-cysteine-4-nitroaniline
CAS Number:
7436-62-6
Molecular Formula:
C16H17N3O3S
Molecular Weight:
331.3895
MDL Number:
MFCD00007302
IUPAC Name:
(2R)-2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m0/s1
InChI Key:
HOZQMLJHNCMSRC-HNNXBMFYSA-N
SMILES:
N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CSCc1ccccc1
EC Number:
231-090-1
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
331.099g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.39g/mol
Monoisotopic Mass:
331.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties