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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-6-(2-thienyl)azepan-3-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-6-thiophen-2-yl-3-azepanyl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-6-thiophen-2-ylazepan-3-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-6-(2-thienyl)azepan-3-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(CC1C2=CC=CS2)CC(=O)O)NC(CCCCC3CCNCC3)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(CC1C2=CC=CS2)CC(=O)O)NC(CCCCC3CCNCC3)C(=O)O

InChI

InChI=1S/C23H35N3O5S/c27-21(28)15-26-14-17(20-6-3-13-32-20)7-8-18(22(26)29)25-19(23(30)31)5-2-1-4-16-9-11-24-12-10-16/h3,6,13,16-19,24-25H,1-2,4-5,7-12,14-15H2,(H,27,28)(H,30,31)