2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid

Systemtic Name: 2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]capric acid Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC1CSCC(N(C1=O)C(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC1CSCC(N(C1=O)C(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C24H36N2O5S/c1-3-4-5-6-7-11-14-19(24(30)31)25-20-15-32-16-21(18-12-9-8-10-13-18)26(22(20)27)17(2)23(28)29/h8-10,12-13,17,19-21,25H,3-7,11,14-16H2,1-2H3,(H,28,29)(H,30,31)