2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(2-furylmethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(2-furanylmethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(2-furfurylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC3=CC=CO3

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC3=CC=CO3

InChI

InChI=1S/C25H29NO6S/c1-2-3-13-23(25(28)29)26-24(27)20(16-33(30,31)17-21-11-7-14-32-21)15-19-10-6-9-18-8-4-5-12-22(18)19/h4-12,14,20,23H,2-3,13,15-17H2,1H3,(H,26,27)(H,28,29)