2-[[4-(carboxymethyl)-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-yl-hexanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-(3-thienyl)-1,4-thiazepan-6-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-6-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-3-yl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(3-thienyl)-1,4-thiazepan-6-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C22H33N3O5S2 MolecularWeight: 483.64452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S2/c26-20(27)12-25-11-19(16-7-10-31-13-16)32-14-18(21(25)28)24-17(22(29)30)4-2-1-3-15-5-8-23-9-6-15/h7,10,13,15,17-19,23-24H,1-6,8-9,11-12,14H2,(H,26,27)(H,29,30)