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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-methylsulfanyl-3-phenylsulfanyl-propan-2-yl)carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(methylsulfanylmethyl)-2-phenylsulfanyl-ethyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-(methylthio)-3-(phenylthio)propan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-methylsulfanyl-3-phenylsulfanylpropan-2-yl)carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[(methylthio)methyl]-2-(phenylthio)ethyl]carbamoylamino]propionic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-29-11-15(12-30-16-5-3-2-4-6-16)22-21(26)23-17(10-20(24)25)14-7-8-18-19(9-14)28-13-27-18/h2-9,15,17H,10-13H2,1H3,(H,24,25)(H2,22,23,26)