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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopropylmethylsulfanyl)-3-phenylsulfanyl-propan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopropylmethylsulfanylmethyl)-2-phenylsulfanyl-ethyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-(cyclopropylmethylthio)-3-(phenylthio)propan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopropylmethylsulfanyl)-3-phenylsulfanylpropan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[(cyclopropylmethylthio)methyl]-2-(phenylthio)ethyl]carbamoylamino]propionic acid Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSCC(CSC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1CSCC(CSC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O5S2/c27-23(28)11-20(17-8-9-21-22(10-17)31-15-30-21)26-24(29)25-18(13-32-12-16-6-7-16)14-33-19-4-2-1-3-5-19/h1-5,8-10,16,18,20H,6-7,11-15H2,(H,27,28)(H2,25,26,29)