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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-6-thiophen-3-yl-azepan-3-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-6-(3-thienyl)azepan-3-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-6-(3-thiophenyl)-3-azepanyl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-6-thiophen-3-ylazepan-3-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-6-(3-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=CSC=C2)CC(=O)O)NC(CCCCC3CCNCC3)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(CC1C2=CSC=C2)CC(=O)O)NC(CCCCC3CCNCC3)C(=O)O

InChI

InChI=1S/C23H35N3O5S/c27-21(28)14-26-13-17(18-9-12-32-15-18)5-6-19(22(26)29)25-20(23(30)31)4-2-1-3-16-7-10-24-11-8-16/h9,12,15-17,19-20,24-25H,1-8,10-11,13-14H2,(H,27,28)(H,30,31)