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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-2-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-(3-thienyl)-1,4-thiazepan-2-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-2-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-3-yl-1,4-thiazepan-2-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(3-thienyl)-1,4-thiazepan-2-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)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CSC=C3

Isomeric SMILES

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

InChI

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