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3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name:3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid
Openeye Name:3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CAS Name:3-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid
IUPAC Name:3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid
Traditional Name:3-[2-[[4-(valerylamino)phenyl]thio]propanoylamino]benzoic acid
Formula: C21H24N2O4S
MolecularWeight: 400.49126
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O


Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O


InChI

InChI=1S/C21H24N2O4S/c1-3-4-8-19(24)22-16-9-11-18(12-10-16)28-14(2)20(25)23-17-7-5-6-15(13-17)21(26)27/h5-7,9-14H,3-4,8H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)


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