2-[[1,2-dithiolan-4-yl(phenethyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[1,2-dithiolan-4-yl(phenethyl)carbamoyl]amino]propanoic acid Openeye Name: 2-[[dithiolan-4-yl(phenethyl)carbamoyl]amino]propanoic acid CAS Name: 2-[[[4-dithiolanyl(phenethyl)amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[dithiolan-4-yl(phenethyl)carbamoyl]amino]propanoic acid Traditional Name: 2-[[dithiolan-4-yl(phenethyl)carbamoyl]amino]propionic acid Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N(CCC1=CC=CC=C1)C2CSSC2

Isomeric SMILES

CC(C(=O)O)NC(=O)N(CCC1=CC=CC=C1)C2CSSC2

InChI

InChI=1S/C15H20N2O3S2/c1-11(14(18)19)16-15(20)17(13-9-21-22-10-13)8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)