3-[3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propylcarbamoyl]-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]-oxomethyl]-4-hydroxy-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-4-hydroxy-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[3-(2,4-ditert-amylphenoxy)propylcarbamoyl]-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthyl]thio]propionic acid Formula: C38H52N2O7S MolecularWeight: 680.89368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=C2O)C=CC=C3NC(=O)OCC(C)C)SCCC(=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=C2O)C=CC=C3NC(=O)OCC(C)C)SCCC(=O)O)C(C)(C)CC

InChI

InChI=1S/C38H52N2O7S/c1-9-37(5,6)25-15-16-30(28(21-25)38(7,8)10-2)46-19-12-18-39-35(44)27-22-31(48-20-17-32(41)42)33-26(34(27)43)13-11-14-29(33)40-36(45)47-23-24(3)4/h11,13-16,21-22,24,43H,9-10,12,17-20,23H2,1-8H3,(H,39,44)(H,40,45)(H,41,42)