(3S,6R,9S,12R,15S,18R)-3,15-di(butan-2-yl)-4,6,9,10,12,16-hexamethyl-18-[(4-nitrophenyl)methyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: (3S,6R,9S,12R,15S,18R)-3,15-di(butan-2-yl)-4,6,9,10,12,16-hexamethyl-18-[(4-nitrophenyl)methyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: (3S,6R,9S,12R,15S,18R)-3,4,6,10,16,18-hexamethyl-12-[(4-nitrophenyl)methyl]-9,15-disec-butyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: (3S,6R,9S,12R,15S,18R)-3,15-di(butan-2-yl)-4,6,9,10,12,16-hexamethyl-18-[(4-nitrophenyl)methyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,15-di(butan-2-yl)-4,6,9,10,12,16-hexamethyl-18-[(4-nitrophenyl)methyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: (3S,6R,9S,12R,15S,18R)-3,4,6,10,16,18-hexamethyl-12-(4-nitrobenzyl)-9,15-disec-butyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C33H48N4O11 MolecularWeight: 676.75442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C)C)C)C)C(C)CC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C)C)C)C)C(C)CC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C33H48N4O11/c1-11-18(3)26-32(42)47-21(6)28(38)34(8)20(5)31(41)46-22(7)29(39)35(9)27(19(4)12-2)33(43)48-25(30(40)36(26)10)17-23-13-15-24(16-14-23)37(44)45/h13-16,18-22,25-27H,11-12,17H2,1-10H3/t18?,19?,20-,21+,22+,25+,26-,27-/m0/s1