N-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-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: C26H39N5O8S2 MolecularWeight: 613.74656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C(=O)CCC1C(=O)NC2CSSCCC=CC(CC(=O)N1)OC(=O)CCNC(=O)C3(CC3)NC2=O

Isomeric SMILES

CCN(CCO)C(=O)CC[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)CCNC(=O)C3(CC3)NC2=O

InChI

InChI=1S/C26H39N5O8S2/c1-2-31(12-13-32)21(34)7-6-18-23(36)29-19-16-41-40-14-4-3-5-17(15-20(33)28-18)39-22(35)8-11-27-25(38)26(9-10-26)30-24(19)37/h3,5,17-19,32H,2,4,6-16H2,1H3,(H,27,38)(H,28,33)(H,29,36)(H,30,37)/b5-3+/t17-,18-,19-/m1/s1