N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3',6',11,12b-tetramethyl-3-oxidanyl-spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-(3-phenylpropanoylamino)hexanamide

Systemtic Name: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3',6',11,12b-tetramethyl-3-oxidanyl-spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-(3-phenylpropanoylamino)hexanamide Openeye Name: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3-hydroxy-3',6',11,12b-tetramethyl-spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-(3-phenylpropanoylamino)hexanamide CAS Name: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3-hydroxy-3',6',11,12b-tetramethyl-4'-spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]yl]ethyl]-6-[(1-oxo-3-phenylpropyl)amino]hexanamide IUPAC Name: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-(3-phenylpropanoylamino)hexanamide Traditional Name: N-[2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,12aS,12bR)-3-hydroxy-3',6',11,12b-tetramethyl-spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphth[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-6-(hydrocinnamoylamino)hexanamide Formula: C45H67N3O4 MolecularWeight: 714.03118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C(C3(O2)CCC4C5CCC6=CC(CCC6(C5CC4=C(C3)C)C)O)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC7=CC=CC=C7

Isomeric SMILES

C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=C[C@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)O)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC7=CC=CC=C7

InChI

InChI=1S/C45H67N3O4/c1-30-25-40-43(48(29-30)24-23-47-41(50)13-9-6-10-22-46-42(51)17-14-33-11-7-5-8-12-33)32(3)45(52-40)21-19-36-37-16-15-34-26-35(49)18-20-44(34,4)39(37)27-38(36)31(2)28-45/h5,7-8,11-12,26,30,32,35-37,39-40,43,49H,6,9-10,13-25,27-29H2,1-4H3,(H,46,51)(H,47,50)/t30-,32+,35-,36-,37-,39-,40+,43-,44-,45?/m0/s1