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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(carboxymethylsulfanyl)-3-phenylsulfanyl-propan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(carboxymethylsulfanylmethyl)-2-phenylsulfanyl-ethyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-(carboxymethylthio)-3-(phenylthio)propan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(carboxymethylsulfanyl)-3-phenylsulfanylpropan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[(carboxymethylthio)methyl]-2-(phenylthio)ethyl]carbamoylamino]propionic acid Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CSCC(=O)O)CSC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CSCC(=O)O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O7S2/c25-20(26)9-17(14-6-7-18-19(8-14)31-13-30-18)24-22(29)23-15(10-32-12-21(27)28)11-33-16-4-2-1-3-5-16/h1-8,15,17H,9-13H2,(H,25,26)(H,27,28)(H2,23,24,29)