Cl.N#N.N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)C(=O)Cl
이름: N2 (2-phenoxathiinylsulfonyl)-L-arginyl chloride hydrochloride
SMILES: Cl.N#N.N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)C(=O)Cl

Molecular Processing

Molecular formula
C18H20Cl2N6O4S2
Molecular weight
519.44
Exact mass
518.0365
XLogP
3.07
TPSA
181.95
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.222
Molar refractivity
121.9

Supplementary Information

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