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

Systemtic Name: 2-[2-[3-(3-methoxypropylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]propanoic acid Openeye Name: 2-[2-[[4-hydroxy-8-(isobutoxycarbonylamino)-3-(3-methoxypropylcarbamoyl)-1-naphthyl]oxy]ethylsulfanyl]propanoic acid CAS Name: 2-[2-[[4-hydroxy-3-[(3-methoxypropylamino)-oxomethyl]-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]oxy]ethylthio]propanoic acid IUPAC Name: 2-[2-[4-hydroxy-3-(3-methoxypropylcarbamoyl)-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]oxyethylsulfanyl]propanoic acid Traditional Name: 2-[2-[4-hydroxy-8-(isobutoxycarbonylamino)-3-(3-methoxypropylcarbamoyl)-1-naphthoxy]ethylthio]propionic acid Formula: C25H34N2O8S MolecularWeight: 522.61106

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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)NCCCOC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O8S/c1-15(2)14-35-25(32)27-19-8-5-7-17-21(19)20(34-11-12-36-16(3)24(30)31)13-18(22(17)28)23(29)26-9-6-10-33-4/h5,7-8,13,15-16,28H,6,9-12,14H2,1-4H3,(H,26,29)(H,27,32)(H,30,31)