CC(C(=O)N1CCCC(C1)N)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl
名称: N-[(3S)-1-[(2S)-1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
SMILES: CC(C(=O)N1CCCC(C1)N)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Molecular Processing

Molecular formula
C22H27ClN4O4S
Molecular weight
479
Exact mass
478.1442
XLogP
1.71
TPSA
112.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
122.65

Supplementary Information

InChIKey: SWAVCKCAPZVXAE-GUVZCDSQSA-N
同義語
N-((3S)-1-[(1S)-2-(3-aminopiperidin-1-yl)-1-methyl-2-oxoethyl]-2-oxopyrrolidin-3-yl)-6-chloronaphthalene-2-sulfonamideN-{(3S)-1-[(1S)-2-(3-Aminopiperidin-1-yl)-1-methyl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-6-chloronaphthalene-2-sulfonamideSCHEMBL5143343SWAVCKCAPZVXAE-GUVZCDSQSA-NN-{(3S)-1-[(1S)-2-(3-aminopiperidin-1-yl)-1-methyl-2-oxoethyl]-2-oxopyrrolidin-3-yl }-6-chloronaphthalene-2-sulfonamideN-{(3S)-1-[(1S)-2-(3-Aminopiperidin-1-yl)-1-methyl-2-oxoethyl]-2oxopyrrolidin-3-yl}-6-chloronaphthalene-2-sulfonamide
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