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90957-40-7

90957-40-7 | N(SUP 6)-((2-CHLOROETHOXY)CARBONYL)-N(SUP 6)-NITROSO-L-LYSINE

CAS No: 90957-40-7 Catalog No: AG006G9Z MDL No:

Product Description

Catalog Number:
AG006G9Z
Chemical Name:
N(SUP 6)-((2-CHLOROETHOXY)CARBONYL)-N(SUP 6)-NITROSO-L-LYSINE
CAS Number:
90957-40-7
Molecular Formula:
C9H16ClN3O5
Molecular Weight:
281.6934
IUPAC Name:
(2S)-2-amino-6-[2-chloroethoxycarbonyl(nitroso)amino]hexanoic acid
InChI:
InChI=1S/C9H16ClN3O5/c10-4-6-18-9(16)13(12-17)5-2-1-3-7(11)8(14)15/h7H,1-6,11H2,(H,14,15)/t7-/m0/s1
InChI Key:
OYQOJZUBNHLAMB-ZETCQYMHSA-N
SMILES:
ClCCOC(=O)N(CCCC[C@@H](C(=O)O)N)N=O

Properties

Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
281.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.693g/mol
Monoisotopic Mass:
281.078g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  

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