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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-phenylmethoxy-3-(phenylmethylsulfanyl)propan-2-yl]oxycarbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(benzyloxymethyl)-2-benzylsulfanyl-ethoxy]carbonylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[1-phenylmethoxy-3-(phenylmethylthio)propan-2-yl]oxymethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzylsulfanyl-3-phenylmethoxypropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(benzoxymethyl)-2-(benzylthio)ethoxy]carbonylamino]propionic acid Formula: C28H29NO7S MolecularWeight: 523.59736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)OC(COCC3=CC=CC=C3)CSCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)OC(COCC3=CC=CC=C3)CSCC4=CC=CC=C4

InChI

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