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

Systemtic Name: 2-[[2-(3-oxidanylidenebutanethioylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(3-oxobutanethioylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-2-[(3-oxo-1-sulfanylidenebutyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(3-oxobutanethioylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(3-ketobutanethioylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-15(25)12-20(29)23-18(13-16-8-4-2-5-9-16)21(26)24-19(22(27)28)14-17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3,(H,23,29)(H,24,26)(H,27,28)