N-(2-morpholin-4-ylethyl)-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentakis(oxidanylidene)spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]propanamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentakis(oxidanylidene)spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]propanamide Openeye Name: N-(2-morpholinoethyl)-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]propanamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxo-22-spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]yl]propanamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]propanamide Traditional Name: N-(2-morpholinoethyl)-3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaketospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]propionamide Formula: C28H42N6O8S2 MolecularWeight: 654.79848

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSCC2C(=O)NC3(CC3)C(=O)NCCC(=O)OC(CC(=O)NC(C(=O)N2)CCC(=O)NCCN4CCOCC4)C=C1

Isomeric SMILES

C\1CSSC[C@@H]2C(=O)NC3(CC3)C(=O)NCCC(=O)O[C@@H](CC(=O)N[C@@H](C(=O)N2)CCC(=O)NCCN4CCOCC4)/C=C1

InChI

InChI=1S/C28H42N6O8S2/c35-22(29-10-11-34-12-14-41-15-13-34)5-4-20-25(38)32-21-18-44-43-16-2-1-3-19(17-23(36)31-20)42-24(37)6-9-30-27(40)28(7-8-28)33-26(21)39/h1,3,19-21H,2,4-18H2,(H,29,35)(H,30,40)(H,31,36)(H,32,38)(H,33,39)/b3-1+/t19-,20-,21-/m1/s1