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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-ethylsulfanyl-3-phenylmethoxy-propan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(benzyloxymethyl)-2-ethylsulfanyl-ethoxy]carbonylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[1-(ethylthio)-3-phenylmethoxypropan-2-yl]oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-ethylsulfanyl-3-phenylmethoxypropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(benzoxymethyl)-2-(ethylthio)ethoxy]carbonylamino]propionic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(COCC1=CC=CC=C1)OC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCSCC(COCC1=CC=CC=C1)OC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H27NO7S/c1-2-32-14-18(13-28-12-16-6-4-3-5-7-16)31-23(27)24-19(11-22(25)26)17-8-9-20-21(10-17)30-15-29-20/h3-10,18-19H,2,11-15H2,1H3,(H,24,27)(H,25,26)