2-[[1,2-dithiolan-4-yl(phenethyl)carbamoyl]amino]-3-phenyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSS1)N(CCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(CSS1)N(CCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

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