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

Systemtic Name: 2-[[4-(carboxymethyl)-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(2-furyl)-5-oxo-1,4-thiazepan-6-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(2-furanyl)-5-oxo-1,4-thiazepan-6-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-(furan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-2-(2-furyl)-5-keto-1,4-thiazepan-6-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)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C22H33N3O6S/c26-20(27)13-25-12-19(18-6-3-11-31-18)32-14-17(21(25)28)24-16(22(29)30)5-2-1-4-15-7-9-23-10-8-15/h3,6,11,15-17,19,23-24H,1-2,4-5,7-10,12-14H2,(H,26,27)(H,29,30)