tert-butyl 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'-cyclobutane]-22-yl]propanoate

Systemtic Name: tert-butyl 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'-cyclobutane]-22-yl]propanoate Openeye Name: tert-butyl 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'-cyclobutane]-22-yl]propanoate CAS Name: 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'-cyclobutane]yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 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'-cyclobutane]-22-yl]propanoate Traditional Name: 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'-cyclobutane]-22-yl]propionic acid tert-butyl ester Formula: C27H40N4O8S2 MolecularWeight: 612.7585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1C(=O)NC2CSSCCC=CC(CC(=O)N1)OC(=O)CCNC(=O)C3(CCC3)NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)CCNC(=O)C3(CCC3)NC2=O

InChI

InChI=1S/C27H40N4O8S2/c1-26(2,3)39-22(34)9-8-18-23(35)30-19-16-41-40-14-5-4-7-17(15-20(32)29-18)38-21(33)10-13-28-25(37)27(11-6-12-27)31-24(19)36/h4,7,17-19H,5-6,8-16H2,1-3H3,(H,28,37)(H,29,32)(H,30,35)(H,31,36)/b7-4+/t17-,18-,19-/m1/s1