2-[[2-(3-oxidanylidenebutanethioylamino)-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(3-oxidanylidenebutanethioylamino)-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(3-oxobutanethioylamino)-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(3-oxo-1-sulfanylidenebutyl)amino]-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[2-(3-oxobutanethioylamino)-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-(3-ketobutanethioylamino)-3-phenyl-propanoyl]amino]propionic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-10(19)8-14(23)18-13(9-12-6-4-3-5-7-12)15(20)17-11(2)16(21)22/h3-7,11,13H,8-9H2,1-2H3,(H,17,20)(H,18,23)(H,21,22)