2-(1,2-dithiolan-4-yl)-3-(phenethylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(1,2-dithiolan-4-yl)-3-(phenethylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(dithiolan-4-yl)-3-(phenethylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-(4-dithiolanyl)-3-[[oxo-(phenethylamino)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(dithiolan-4-yl)-3-(phenethylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(dithiolan-4-yl)-3-(phenethylcarbamoylamino)-3-phenyl-propionic acid Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSS1)C(C(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(CSS1)C(C(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O3S2/c24-20(25)18(17-13-27-28-14-17)19(16-9-5-2-6-10-16)23-21(26)22-12-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2,(H,24,25)(H2,22,23,26)