(6Z)-15-azanyl-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

Systemtic Name: (6Z)-15-azanyl-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione Openeye Name: (6Z)-15-amino-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione CAS Name: (6Z)-15-amino-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-dione IUPAC Name: (6Z)-15-amino-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione Traditional Name: (6Z)-15-amino-3-[(1E,3E,5E)-2,5-dimethyl-7-(methylamino)hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-quinone Formula: C30H43N3O4S MolecularWeight: 541.74512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=O)OC(CC(=CC=CC(=O)OC(CC2=NC1=CS2)C=C(C)C=CC(=CCNC)C)C)C)N

Isomeric SMILES

CC1CC(CC(=O)OC(CC(=C/C=C\C(=O)OC(CC2=NC1=CS2)/C=C(\C)/C=C/C(=C/CNC)/C)C)C)N

InChI

InChI=1S/C30H43N3O4S/c1-20(12-13-32-6)10-11-22(3)15-26-18-28-33-27(19-38-28)23(4)16-25(31)17-30(35)36-24(5)14-21(2)8-7-9-29(34)37-26/h7-12,15,19,23-26,32H,13-14,16-18,31H2,1-6H3/b9-7-,11-10+,20-12+,21-8?,22-15+