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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]decanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]capric acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5S/c1-2-3-4-5-6-10-13-18(23(29)30)24-19-15-31-16-20(17-11-8-7-9-12-17)25(22(19)28)14-21(26)27/h7-9,11-12,18-20,24H,2-6,10,13-16H2,1H3,(H,26,27)(H,29,30)