2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(carboxymethyl)-3-(1,3-dithiolan-2-yl)phenyl]propionic acid Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)CC(=O)O)C2SCCS2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)CC(=O)O)C2SCCS2)C(=O)O

InChI

InChI=1S/C16H19NO5S2/c1-9(18)17-13(15(21)22)7-10-2-3-11(8-14(19)20)12(6-10)16-23-4-5-24-16/h2-3,6,13,16H,4-5,7-8H2,1H3,(H,17,18)(H,19,20)(H,21,22)