(4S,14S)-19-methyl-21-phenylsulfanyl-4,14-di(propan-2-yl)-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]henicosa-1(20),17-diene-2,5,13,16-tetrone

Systemtic Name: (4S,14S)-19-methyl-21-phenylsulfanyl-4,14-di(propan-2-yl)-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]henicosa-1(20),17-diene-2,5,13,16-tetrone Openeye Name: (4S,14S)-4,14-diisopropyl-19-methyl-21-phenylsulfanyl-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]henicosa-1(20),17-diene-2,5,13,16-tetrone CAS Name: (4S,14S)-19-methyl-21-(phenylthio)-4,14-di(propan-2-yl)-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]heneicosa-1(20),17-diene-2,5,13,16-tetrone IUPAC Name: (4S,14S)-19-methyl-21-phenylsulfanyl-4,14-di(propan-2-yl)-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]henicosa-1(20),17-diene-2,5,13,16-tetrone Traditional Name: (4S,14S)-4,14-diisopropyl-19-methyl-21-(phenylthio)-6,9,12-trioxa-3,15,19-triazabicyclo[15.3.1]heneicosa-1(20),17-diene-2,5,13,16-diquinone Formula: C28H37N3O7S MolecularWeight: 559.67428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)OCCOCCOC(=O)C(NC(=O)C2=CN(C=C(C2SC3=CC=CC=C3)C(=O)N1)C)C(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)OCCOCCOC(=O)[C@@H](NC(=O)C2=CN(C=C(C2SC3=CC=CC=C3)C(=O)N1)C)C(C)C

InChI

InChI=1S/C28H37N3O7S/c1-17(2)22-27(34)37-13-11-36-12-14-38-28(35)23(18(3)4)30-26(33)21-16-31(5)15-20(25(32)29-22)24(21)39-19-9-7-6-8-10-19/h6-10,15-18,22-24H,11-14H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1