이름: N2 (2-phenoxathiinylsulfonyl)-L-arginine
SMILES:
N#N.N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)C(=O)OMolecular Processing
Molecular formula
C18H20N6O5S2
Molecular weight
464.53
Exact mass
464.0937
XLogP
1.97
TPSA
202.18
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
111.43
Supplementary Information
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