2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCSCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCSCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-12(17(22)23)20-9-10-26-11-15(16(20)21)19-14(18(24)25)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11H2,1H3,(H,22,23)(H,24,25)