Home Halogens L-gamma-Glutamyl-S-[[(4-bromophenyl)hydroxyamino]carbonyl]-L-cysteinylglycine diethyl ester monohydrochloride

L-gamma-Glutamyl-S-[[(4-bromophenyl)hydroxyamino]carbonyl]-L-cysteinylglycine diethyl ester monohydrochloride

CAS No.:
221174-33-0
Catalog Number:
AG00BF3I
Molecular Formula:
C21H30BrClN4O8S
Molecular Weight:
613.9069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$550
- +
Product Description
Catalog Number:
AG00BF3I
Chemical Name:
L-gamma-Glutamyl-S-[[(4-bromophenyl)hydroxyamino]carbonyl]-L-cysteinylglycine diethyl ester monohydrochloride
CAS Number:
221174-33-0
Molecular Formula:
C21H30BrClN4O8S
Molecular Weight:
613.9069
MDL Number:
MFCD20270724
IUPAC Name:
ethyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride
InChI:
InChI=1S/C21H29BrN4O8S.ClH/c1-3-33-18(28)11-24-19(29)16(25-17(27)10-9-15(23)20(30)34-4-2)12-35-21(31)26(32)14-7-5-13(22)6-8-14;/h5-8,15-16,32H,3-4,9-12,23H2,1-2H3,(H,24,29)(H,25,27);1H/t15-,16-;/m0./s1
InChI Key:
HFQRZRCYYQCUIG-MOGJOVFKSA-N
SMILES:
CCOC(=O)CNC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)OCC)N)CSC(=O)N(c1ccc(cc1)Br)O.Cl
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
612.066g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
613.905g/mol
Monoisotopic Mass:
612.066g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties