2-(2-methylpropyl)-N-(2-oxidanylidene-1-azacyclotridec-3-yl)-3-sulfanyl-pentanediamide

Systemtic Name: 2-(2-methylpropyl)-N-(2-oxidanylidene-1-azacyclotridec-3-yl)-3-sulfanyl-pentanediamide Openeye Name: 2-isobutyl-N-(2-oxo-azacyclotridec-3-yl)-3-sulfanyl-pentanediamide CAS Name: 3-mercapto-2-(2-methylpropyl)-N-(2-oxo-azacyclotridec-3-yl)pentanediamide IUPAC Name: 2-(2-methylpropyl)-N-(2-oxo-azacyclotridec-3-yl)-3-sulfanylpentanediamide Traditional Name: 2-isobutyl-N-(2-keto-azacyclotridec-3-yl)-3-mercapto-glutaramide Formula: C21H39N3O3S MolecularWeight: 413.61766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)N)S)C(=O)NC1CCCCCCCCCCNC1=O

Isomeric SMILES

CC(C)CC(C(CC(=O)N)S)C(=O)NC1CCCCCCCCCCNC1=O

InChI

InChI=1S/C21H39N3O3S/c1-15(2)13-16(18(28)14-19(22)25)20(26)24-17-11-9-7-5-3-4-6-8-10-12-23-21(17)27/h15-18,28H,3-14H2,1-2H3,(H2,22,25)(H,23,27)(H,24,26)