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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(3-phenylpropylsulfanyl)-3-phenylsulfanyl-propan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(3-phenylpropylsulfanylmethyl)-2-phenylsulfanyl-ethyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[1-(3-phenylpropylthio)-3-(phenylthio)propan-2-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(3-phenylpropylsulfanyl)-3-phenylsulfanylpropan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[(3-phenylpropylthio)methyl]-2-(phenylthio)ethyl]carbamoylamino]propionic acid Formula: C29H32N2O5S2 MolecularWeight: 552.70478

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CSCCCC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CSCCCC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S2/c32-28(33)17-25(22-13-14-26-27(16-22)36-20-35-26)31-29(34)30-23(19-38-24-11-5-2-6-12-24)18-37-15-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-14,16,23,25H,7,10,15,17-20H2,(H,32,33)(H2,30,31,34)