名称: (2R)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
SMILES:
CC(C(=O)O)N1CCC(C1=O)NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)ClMolecular Processing
Molecular formula
C17H17ClN2O5S
Molecular weight
396.85
Exact mass
396.0547
XLogP
1.85
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
96.5
Supplementary Information
InChIKey: NOAVDWOUDADYBW-BMIGLBTASA-N
同義語
SCHEMBL4476021NOAVDWOUDADYBW-BMIGLBTASA-N(2R)-2-((3S)-3-{[(6-chloro-2-naphthyl)sulfonyl]amino}-2-oxopyrrolidin-1-yl)propanoic acid
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