(3S,6S,9S)-6-ethyl-3-[(2-fluorophenyl)methyl]-6-methyl-9-[(7R)-7-oxidanyl-6-oxidanylidene-octyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Systemtic Name: (3S,6S,9S)-6-ethyl-3-[(2-fluorophenyl)methyl]-6-methyl-9-[(7R)-7-oxidanyl-6-oxidanylidene-octyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Openeye Name: (3S,6S,9S)-6-ethyl-3-[(2-fluorophenyl)methyl]-9-[(7R)-7-hydroxy-6-oxo-octyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone CAS Name: (3S,6S,9S)-6-ethyl-3-[(2-fluorophenyl)methyl]-9-[(7R)-7-hydroxy-6-oxooctyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone IUPAC Name: (3S,6S,9S)-6-ethyl-3-[(2-fluorophenyl)methyl]-9-[(7R)-7-hydroxy-6-oxooctyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Traditional Name: (3S,6S,9S)-6-ethyl-3-(2-fluorobenzyl)-9-[(7R)-7-hydroxy-6-keto-octyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone Formula: C29H41FN4O6 MolecularWeight: 560.657443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CCCCCC(=O)C(C)O)CC3=CC=CC=C3F)C

Isomeric SMILES

CC[C@]1(C(=O)N[C@H](C(=O)N2CCCC2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@@H](C)O)CC3=CC=CC=C3F)C

InChI

InChI=1S/C29H41FN4O6/c1-4-29(3)28(40)32-22(17-19-11-8-9-12-20(19)30)27(39)34-16-10-14-23(34)26(38)31-21(25(37)33-29)13-6-5-7-15-24(36)18(2)35/h8-9,11-12,18,21-23,35H,4-7,10,13-17H2,1-3H3,(H,31,38)(H,32,40)(H,33,37)/t18-,21+,22+,23?,29+/m1/s1