(1R,5S)-N-[6-[[(1S,5R)-2,4-bis(oxidanylidene)-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonan-7-yl]carbonylamino]-9-[2-[[3-[(2-carbazol-9-ylethanoylamino)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]carbazol-3-yl]-2,4-bis(oxidanylidene)-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

Systemtic Name: (1R,5S)-N-[6-[[(1S,5R)-2,4-bis(oxidanylidene)-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonan-7-yl]carbonylamino]-9-[2-[[3-[(2-carbazol-9-ylethanoylamino)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]carbazol-3-yl]-2,4-bis(oxidanylidene)-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide Openeye Name: (1R,5S)-N-[9-[2-[[3-[[(2-carbazol-9-ylacetyl)amino]methyl]phenyl]methylamino]-2-oxo-ethyl]-6-[[(1S,5R)-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]carbazol-3-yl]-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide CAS Name: (1R,5S)-N-[9-[2-[[3-[[[2-(9-carbazolyl)-1-oxoethyl]amino]methyl]phenyl]methylamino]-2-oxoethyl]-6-[[[(1S,5R)-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonan-7-yl]-oxomethyl]amino]-3-carbazolyl]-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide IUPAC Name: (1R,5S)-N-[9-[2-[[3-[[(2-carbazol-9-ylacetyl)amino]methyl]phenyl]methylamino]-2-oxoethyl]-6-[[(1S,5R)-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]carbazol-3-yl]-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide Traditional Name: (1R,5S)-N-[9-[2-[[3-[[(2-carbazol-9-ylacetyl)amino]methyl]benzyl]amino]-2-keto-ethyl]-6-[[(1S,5R)-2,4-diketo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]carbazol-3-yl]-2,4-diketo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide Formula: C72H86N8O8 MolecularWeight: 1191.50204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CC(CC(C1)(CCC)C(=O)NC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)NC(=O)C6(CC7(CC(C6)(C(=O)NC7=O)CCC)CCC)CCC)CC(=O)NCC8=CC=CC(=C8)CNC(=O)CN9C1=CC=CC=C1C1=CC=CC=C19)(C(=O)NC2=O)CCC

Isomeric SMILES

CCC[C@@]12C[C@@](CC(C1)(CCC)C(=O)NC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)NC(=O)C6(C[C@]7(C[C@@](C6)(C(=O)NC7=O)CCC)CCC)CCC)CC(=O)NCC8=CC=CC(=C8)CNC(=O)CN9C1=CC=CC=C1C1=CC=CC=C19)(C(=O)NC2=O)CCC

InChI

InChI=1S/C72H86N8O8/c1-7-28-67(41-69(30-9-3)45-70(42-67,31-10-4)64(86)77-63(69)85)61(83)75-49-24-26-57-53(35-49)54-36-50(76-62(84)68(29-8-2)43-71(32-11-5)46-72(44-68,33-12-6)66(88)78-65(71)87)25-27-58(54)80(57)40-60(82)74-38-48-19-17-18-47(34-48)37-73-59(81)39-79-55-22-15-13-20-51(55)52-21-14-16-23-56(52)79/h13-27,34-36H,7-12,28-33,37-46H2,1-6H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85,86)(H,78,87,88)/t67?,68?,69-,70+,71-,72+