(3S,6S,9S)-6-ethyl-3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-9-[(7R)-7-hydroxy-6-oxo-octyl]-3-[(4-methoxyphenyl)methyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone CAS Name: (3S,6S,9S)-6-ethyl-9-[(7R)-7-hydroxy-6-oxooctyl]-3-[(4-methoxyphenyl)methyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone IUPAC Name: (3S,6S,9S)-6-ethyl-9-[(7R)-7-hydroxy-6-oxooctyl]-3-[(4-methoxyphenyl)methyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Traditional Name: (3S,6S,9S)-6-ethyl-9-[(7R)-7-hydroxy-6-keto-octyl]-6-methyl-3-p-anisyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone Formula: C30H44N4O7 MolecularWeight: 572.69296

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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=C(C=C3)OC)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=C(C=C3)OC)C

InChI

InChI=1S/C30H44N4O7/c1-5-30(3)29(40)32-23(18-20-13-15-21(41-4)16-14-20)28(39)34-17-9-11-24(34)27(38)31-22(26(37)33-30)10-7-6-8-12-25(36)19(2)35/h13-16,19,22-24,35H,5-12,17-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,22+,23+,24?,30+/m1/s1