10-azanyl-2-[(5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]decanoic acid

Systemtic Name: 10-azanyl-2-[(5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]decanoic acid Openeye Name: 10-amino-2-[[5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]decanoic acid CAS Name: 10-amino-2-[(5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]decanoic acid IUPAC Name: 10-amino-2-[(5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]decanoic acid Traditional Name: 10-amino-2-[[5-keto-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]capric acid Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(C(=O)N1)NC(CCCCCCCCN)C(=O)O)C2=CC=CS2

Isomeric SMILES

C1C(SCC(C(=O)N1)NC(CCCCCCCCN)C(=O)O)C2=CC=CS2

InChI

InChI=1S/C19H31N3O3S2/c20-10-6-4-2-1-3-5-8-14(19(24)25)22-15-13-27-17(12-21-18(15)23)16-9-7-11-26-16/h7,9,11,14-15,17,22H,1-6,8,10,12-13,20H2,(H,21,23)(H,24,25)