3-[[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-amino]propanoic acid CAS Name: 3-[[[methyl-[[(Z)-1-(methylthio)ethylideneamino]oxy-oxomethyl]amino]thio]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoic acid Traditional Name: 3-[benzyl-[[methyl-[(Z)-1-(methylthio)ethylideneamino]oxycarbonyl-amino]thio]amino]propionic acid Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)SN(CCC(=O)O)CC1=CC=CC=C1)SC

Isomeric SMILES

C/C(=N/OC(=O)N(C)SN(CCC(=O)O)CC1=CC=CC=C1)/SC

InChI

InChI=1S/C15H21N3O4S2/c1-12(23-3)16-22-15(21)17(2)24-18(10-9-14(19)20)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,19,20)/b16-12-