tert-butyl 3-[(1S,9S,15E,20R)-5-oxidanyl-3,8,18,21-tetrakis(oxidanylidene)spiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]-20-yl]propanoate

Systemtic Name: tert-butyl 3-[(1S,9S,15E,20R)-5-oxidanyl-3,8,18,21-tetrakis(oxidanylidene)spiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]-20-yl]propanoate Openeye Name: tert-butyl 3-[(1S,9S,15E,20R)-5-hydroxy-3,8,18,21-tetraoxo-spiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]-20-yl]propanoate CAS Name: 3-[(1S,9S,15E,20R)-5-hydroxy-3,8,18,21-tetraoxo-20-spiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1S,9S,15E,20R)-5-hydroxy-3,8,18,21-tetraoxospiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]-20-yl]propanoate Traditional Name: 3-[(1S,9S,15E,20R)-5-hydroxy-3,8,18,21-tetraketo-spiro[2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-6,1'-cyclopropane]-20-yl]propionic acid tert-butyl ester Formula: C25H37N3O8S2 MolecularWeight: 571.70658

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H37N3O8S2/c1-24(2,3)36-20(31)8-7-16-22(33)27-17-14-38-37-11-5-4-6-15(12-19(30)26-16)35-21(32)13-18(29)25(9-10-25)28-23(17)34/h4,6,15-18,29H,5,7-14H2,1-3H3,(H,26,30)(H,27,33)(H,28,34)/b6-4+/t15-,16-,17-,18?/m1/s1