名称: (2S)-1-[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILES:
CC(=O)SCC(CSC(=O)C)C(=O)N1CCCC1C(=O)OMolecular Processing
Molecular formula
C13H19NO5S2
Molecular weight
333.43
Exact mass
333.0705
XLogP
1.24
TPSA
91.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
82.14
Supplementary Information
InChIKey: KPKMOMYEMMKVEJ-NSHDSACASA-N
同義語
SCHEMBL10552806KPKMOMYEMMKVEJ-NSHDSACASA-N(2-Acetylthiomethyl-3-(acetylthio)propanoyl]-L-proline
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