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

Systemtic Name: 2-[[2-(2-ethoxycarbonyloxyethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(2-ethoxycarbonyloxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(2-ethoxycarbonyloxyethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(2-ethoxycarbonyloxyethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(2-carbethoxyoxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid Formula: C25H33NO8S MolecularWeight: 507.59642

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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)CCOC(=O)OCC

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CCOC(=O)OCC

InChI

InChI=1S/C25H33NO8S/c1-3-5-13-22(24(28)29)26-23(27)20(17-35(31,32)15-14-34-25(30)33-4-2)16-19-11-8-10-18-9-6-7-12-21(18)19/h6-12,20,22H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,29)