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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-phenyl-1,4-thiazepan-2-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-2-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-2-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-2-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-phenyl-1,4-thiazepan-2-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC(C(=O)O)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H35N3O5S/c28-21-12-15-33-24(17-27(21)16-22(29)30,19-7-2-1-3-8-19)26-20(23(31)32)9-5-4-6-18-10-13-25-14-11-18/h1-3,7-8,18,20,25-26H,4-6,9-17H2,(H,29,30)(H,31,32)