(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)

C113H141BrN22O7 — CID 159182812

About (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)

(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane) (PubChem CID 159182812) has the molecular formula C113H141BrN22O7 and a molecular weight of 2003.44 g/mol. Its IUPAC name is (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane).

Molecular Properties

• Compound Name: (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)
• PubChem CID: 159182812
• Molecular Formula: C113H141BrN22O7
• Molecular Weight: 2003.44 g/mol
• Exact Mass: 2001.07
• IUPAC Name: (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)
• SMILES: C.C.C.C.CC1(C)C(=O)/C(=C\O)C[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.CC1(C)C(=O)CC[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.CC1(C)c2oncc2C[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.[3H]C.[3H]C.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(Br)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O
• InChI: InChI=1S/C18H17BrN4O.2C18H20N4O.C18H18N4O.C18H21N3O2.C17H21N3O.6CH4/c1-17(2)13-6-5-10-8-21-16-11(19)9-22-23(16)14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-5-4-11-9-19-14-6-7-20-22(14)15(11)18(13,3)8-12-10-21-23-16(12)17;2*1-17(2)13-6-5-11-10-20-14-7-8-21-22(14)15(11)18(13,3)9-12(19-4)16(17)23;1-17(2)13-5-4-11-9-19-14-6-7-20-21(14)15(11)18(13,3)8-12(10-22)16(17)23;1-16(2)12-5-4-11-10-18-14-7-9-19-20(14)15(11)17(12,3)8-6-13(16)21;;;;;;/h7-9,13H,5-6H2,1-3H3;6-7,9-10,13H,4-5,8H2,1-3H3;7-8,10,12-13H,5-6,9H2,1-3H3;7-10,13H,5-6H2,1-3H3;6-7,9-10,13,22H,4-5,8H2,1-3H3;7,9-10,12H,4-6,8H2,1-3H3;6*1H4/b;;;;12-10-;;;;;;;/t2*13-,18-;12?,13-,18-;2*13-,18-;12-,17-;;;;;;/m000000....../s1/i;;;;;;2*1T
• InChIKey: KNCOVEQBFZZOTB-CHCTVIPYSA-N
• XLogP: 22.34
• TPSA: 325.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.44
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)?

The IUPAC name of (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane) (CID 159182812) is (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane).

What is the SMILES notation for (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)?

The canonical SMILES for (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane) is C.C.C.C.CC1(C)C(=O)/C(=C\O)C[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.CC1(C)C(=O)CC[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.CC1(C)c2oncc2C[C@]2(C)c3c(cnc4ccnn34)CC[C@@H]12.[3H]C.[3H]C.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(Br)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O.

What is the InChIKey of (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)?

The InChIKey is KNCOVEQBFZZOTB-CHCTVIPYSA-N. The full InChI is InChI=1S/C18H17BrN4O.2C18H20N4O.C18H18N4O.C18H21N3O2.C17H21N3O.6CH4/c1-17(2)13-6-5-10-8-21-16-11(19)9-22-23(16)14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-5-4-11-9-19-14-6-7-20-22(14)15(11)18(13,3)8-12-10-21-23-16(12)17;2*1-17(2)13-6-5-11-10-20-14-7-8-21-22(14)15(11)18(13,3)9-12(19-4)16(17)23;1-17(2)13-5-4-11-9-19-14-6-7-20-21(14)15(11)18(13,3)8-12(10-22)16(17)23;1-16(2)12-5-4-11-10-18-14-7-9-19-20(14)15(11)17(12,3)8-6-13(16)21;;;;;;/h7-9,13H,5-6H2,1-3H3;6-7,9-10,13H,4-5,8H2,1-3H3;7-8,10,12-13H,5-6,9H2,1-3H3;7-10,13H,5-6H2,1-3H3;6-7,9-10,13,22H,4-5,8H2,1-3H3;7,9-10,12H,4-6,8H2,1-3H3;6*1H4/b;;;;12-10-;;;;;;;/t2*13-,18-;12?,13-,18-;2*13-,18-;12-,17-;;;;;;/m000000....../s1/i;;;;;;2*1T;;;;.

What are the key properties of (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane)?

(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane) has a molecular weight of 2003.44 g/mol, XLogP of 22.34, 0 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,4Z,7R)-4-(hydroxymethylidene)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2S,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;methane;(1S,13R)-1,14,14-trimethyl-16-oxa-3,4,8,17-tetrazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-2(10),4,6,8,15(19),17-hexaene;(2S,7R)-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13,15-tetraen-5-one;bis(tritiomethane) is sourced from PubChem (CID 159182812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).