2-[2-[3-(methylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]propanoic acid

Systemtic Name: 2-[2-[3-(methylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]propanoic acid Openeye Name: 2-[2-[[4-hydroxy-8-(isobutoxycarbonylamino)-3-(methylcarbamoyl)-1-naphthyl]oxy]ethylsulfanyl]propanoic acid CAS Name: 2-[2-[[4-hydroxy-3-(methylcarbamoyl)-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]oxy]ethylthio]propanoic acid IUPAC Name: 2-[2-[4-hydroxy-3-(methylcarbamoyl)-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]oxyethylsulfanyl]propanoic acid Traditional Name: 2-[2-[4-hydroxy-8-(isobutoxycarbonylamino)-3-(methylcarbamoyl)-1-naphthoxy]ethylthio]propionic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC=CC2=C(C(=CC(=C21)OCCSC(C)C(=O)O)C(=O)NC)O

Isomeric SMILES

CC(C)COC(=O)NC1=CC=CC2=C(C(=CC(=C21)OCCSC(C)C(=O)O)C(=O)NC)O

InChI

InChI=1S/C22H28N2O7S/c1-12(2)11-31-22(29)24-16-7-5-6-14-18(16)17(10-15(19(14)25)20(26)23-4)30-8-9-32-13(3)21(27)28/h5-7,10,12-13,25H,8-9,11H2,1-4H3,(H,23,26)(H,24,29)(H,27,28)