(12E)-N-(2-methyl-4-oxidanyl-5-oxidanylidene-hexan-3-yl)-11-oxidanyl-6,9-bis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide

Systemtic Name: (12E)-N-(2-methyl-4-oxidanyl-5-oxidanylidene-hexan-3-yl)-11-oxidanyl-6,9-bis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide Openeye Name: (12E)-11-hydroxy-N-(2-hydroxy-1-isopropyl-3-oxo-butyl)-7-isopropyl-6,9-dioxo-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide CAS Name: (12E)-11-hydroxy-N-(4-hydroxy-2-methyl-5-oxohexan-3-yl)-6,9-dioxo-7-propan-2-yl-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide IUPAC Name: (12E)-11-hydroxy-N-(4-hydroxy-2-methyl-5-oxohexan-3-yl)-6,9-dioxo-7-propan-2-yl-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide Traditional Name: (12E)-11-hydroxy-N-(2-hydroxy-1-isopropyl-3-keto-butyl)-7-isopropyl-6,9-diketo-1,2-dithia-5,8-diazacyclopentadec-12-ene-4-carboxamide Formula: C22H37N3O6S2 MolecularWeight: 503.67568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CSSCCC=CC(CC(=O)N1)O)C(=O)NC(C(C)C)C(C(=O)C)O

Isomeric SMILES

CC(C)C1C(=O)NC(CSSCC/C=C/C(CC(=O)N1)O)C(=O)NC(C(C)C)C(C(=O)C)O

InChI

InChI=1S/C22H37N3O6S2/c1-12(2)18(20(29)14(5)26)25-21(30)16-11-33-32-9-7-6-8-15(27)10-17(28)24-19(13(3)4)22(31)23-16/h6,8,12-13,15-16,18-20,27,29H,7,9-11H2,1-5H3,(H,23,31)(H,24,28)(H,25,30)/b8-6+