10-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl]amino]decanoic acid

Systemtic Name: 10-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl]amino]decanoic acid Openeye Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-(2-thienyl)azepan-3-yl]amino]decanoic acid CAS Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-thiophen-2-yl-3-azepanyl]amino]decanoic acid IUPAC Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-thiophen-2-ylazepan-3-yl]amino]decanoic acid Traditional Name: 10-amino-2-[[1-(carboxymethyl)-2-keto-6-(2-thienyl)azepan-3-yl]amino]capric acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5S/c23-12-6-4-2-1-3-5-8-18(22(29)30)24-17-11-10-16(19-9-7-13-31-19)14-25(21(17)28)15-20(26)27/h7,9,13,16-18,24H,1-6,8,10-12,14-15,23H2,(H,26,27)(H,29,30)