(1S,4R,7R,10S,16E,21R)-4,21-dimethyl-7-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

Systemtic Name: (1S,4R,7R,10S,16E,21R)-4,21-dimethyl-7-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone Openeye Name: (1S,4R,7R,10S,16E,21R)-7-isopropyl-4,21-dimethyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone CAS Name: (1S,4R,7R,10S,16E,21R)-4,21-dimethyl-7-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone IUPAC Name: (1S,4R,7R,10S,16E,21R)-4,21-dimethyl-7-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone Traditional Name: (1S,4R,7R,10S,16E,21R)-7-isopropyl-4,21-dimethyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone Formula: C21H32N4O6S2 MolecularWeight: 500.63198

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2CSSCCC=CC(CC(=O)N1)OC(=O)C(NC(=O)C(NC2=O)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O6S2/c1-11(2)17-20(29)23-13(4)21(30)31-14-7-5-6-8-32-33-10-15(19(28)25-17)24-18(27)12(3)22-16(26)9-14/h5,7,11-15,17H,6,8-10H2,1-4H3,(H,22,26)(H,23,29)(H,24,27)(H,25,28)/b7-5+/t12-,13-,14-,15-,17-/m1/s1