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

Systemtic Name: 2-[[4-(carboxymethyl)-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-2-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(2-furyl)-5-oxo-1,4-thiazepan-2-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(2-furanyl)-5-oxo-1,4-thiazepan-2-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-(furan-2-yl)-5-oxo-1,4-thiazepan-2-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-2-(2-furyl)-5-keto-1,4-thiazepan-2-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC(C(=O)O)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC=CO3

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C22H33N3O6S/c26-19-9-13-32-22(18-6-3-12-31-18,15-25(19)14-20(27)28)24-17(21(29)30)5-2-1-4-16-7-10-23-11-8-16/h3,6,12,16-17,23-24H,1-2,4-5,7-11,13-15H2,(H,27,28)(H,29,30)