2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-benzyl-5-oxo-thiomorpholine-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[5-oxo-4-(phenylmethyl)-3-thiomorpholinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-benzyl-5-oxothiomorpholine-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(4-benzyl-5-keto-thiomorpholine-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c24-19-14-28-13-18(23(19)12-16-9-5-2-6-10-16)20(25)22-17(21(26)27)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,22,25)(H,26,27)