CC(=O)SCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Name: Nα-(3-Acetylthio-2-methylpropanoyl)-L-arginine
SMILES: CC(=O)SCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Molecular Processing

Molecular formula
C12H22N4O4S
Molecular weight
318.4
Exact mass
318.1362
XLogP
-0.27
TPSA
145.37
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
81.02

Supplementary Information

Details werden geladen…

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