3-(1,3-benzodioxol-5-yl)-3-[(1-phenylsulfanyl-3-prop-2-enoxy-propan-2-yl)carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-phenylsulfanyl-3-prop-2-enoxy-propan-2-yl)carbamoylamino]propanoic acid Openeye Name: 3-[[1-(allyloxymethyl)-2-phenylsulfanyl-ethyl]carbamoylamino]-3-(1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[1-(phenylthio)-3-prop-2-enoxypropan-2-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-phenylsulfanyl-3-prop-2-enoxypropan-2-yl)carbamoylamino]propanoic acid Traditional Name: 3-[[1-(allyloxymethyl)-2-(phenylthio)ethyl]carbamoylamino]-3-(1,3-benzodioxol-5-yl)propionic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCOCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H26N2O6S/c1-2-10-29-13-17(14-32-18-6-4-3-5-7-18)24-23(28)25-19(12-22(26)27)16-8-9-20-21(11-16)31-15-30-20/h2-9,11,17,19H,1,10,12-15H2,(H,26,27)(H2,24,25,28)