3-(1,3-benzodioxol-5-yl)-3-[(1-phenethyloxy-3-phenylsulfanyl-propan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-phenethyloxy-3-phenylsulfanyl-propan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(phenethyloxymethyl)-2-phenylsulfanyl-ethoxy]carbonylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[1-phenethyloxy-3-(phenylthio)propan-2-yl]oxymethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-phenethyloxy-3-phenylsulfanylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(phenethyloxymethyl)-2-(phenylthio)ethoxy]carbonylamino]propionic acid Formula: C28H29NO7S MolecularWeight: 523.59736

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)OC(COCCC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)OC(COCCC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H29NO7S/c30-27(31)16-24(21-11-12-25-26(15-21)35-19-34-25)29-28(32)36-22(18-37-23-9-5-2-6-10-23)17-33-14-13-20-7-3-1-4-8-20/h1-12,15,22,24H,13-14,16-19H2,(H,29,32)(H,30,31)