(1S,5R,8R,11S,17E,21S)-21-[(1R)-1-oxidanylethyl]-5,8-di(propan-2-yl)-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone

Systemtic Name: (1S,5R,8R,11S,17E,21S)-21-[(1R)-1-oxidanylethyl]-5,8-di(propan-2-yl)-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone Openeye Name: (1S,5R,8R,11S,17E,21S)-21-[(1R)-1-hydroxyethyl]-5,8-diisopropyl-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone CAS Name: (1S,5R,8R,11S,17E,21S)-21-[(1R)-1-hydroxyethyl]-5,8-di(propan-2-yl)-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone IUPAC Name: (1S,5R,8R,11S,17E,21S)-21-[(1R)-1-hydroxyethyl]-5,8-di(propan-2-yl)-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone Traditional Name: (1S,5R,8R,11S,17E,21S)-21-[(1R)-1-hydroxyethyl]-5,8-diisopropyl-19-oxa-13,14-dithia-4,7,10,22-tetrazabicyclo[9.7.5]tricos-17-ene-3,6,9,20,23-pentone Formula: C24H38N4O7S2 MolecularWeight: 558.71112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C(=O)NC2CSSCCC=CC(CC(=O)N1)OC(=O)C(NC2=O)C(C)O)C(C)C

Isomeric SMILES

C[C@H]([C@H]1C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C)O

InChI

InChI=1S/C24H38N4O7S2/c1-12(2)18-23(33)27-19(13(3)4)22(32)25-16-11-37-36-9-7-6-8-15(10-17(30)26-18)35-24(34)20(14(5)29)28-21(16)31/h6,8,12-16,18-20,29H,7,9-11H2,1-5H3,(H,25,32)(H,26,30)(H,27,33)(H,28,31)/b8-6+/t14-,15-,16-,18-,19-,20+/m1/s1