tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid

C139H201BrClN25O32 — CID 159207986

About tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid

tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid (PubChem CID 159207986) has the molecular formula C139H201BrClN25O32 and a molecular weight of 2849.64 g/mol. Its IUPAC name is tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid.

Molecular Properties

• Compound Name: tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid
• PubChem CID: 159207986
• Molecular Formula: C139H201BrClN25O32
• Molecular Weight: 2849.64 g/mol
• Exact Mass: 2846.37
• IUPAC Name: tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid
• SMILES: CC(C)(C)CN1CCN(C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)C1.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)N1CCNCc2cccc(n2)CNCC1.CCN1CCCCCN(CC(=O)OC)Cc2cccc(n2)C1.CCN1CCN(Cc2cccc(C(=O)OC)n2)CCN(CC(=O)OC)Cc2cccc(n2)C1.CN1CCCCCN(CC(=O)O)Cc2cccc(n2)C1.CN1CCN(Cc2cccc(C(=O)O)n2)CCN(CC(=O)O)Cc2cccc(n2)C1.COC(=O)c1cccc(CCl)n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C27H46N4O4.C24H33N5O4.C21H27N5O4.C17H27N3O2.C16H26N4O2.C15H23N3O2.C8H8ClNO2.C6H11BrO2.5CO2/c1-25(2,3)20-30-14-16-31(24(33)35-27(7,8)9)15-13-29(19-23(32)34-26(4,5)6)17-21-11-10-12-22(18-30)28-21;1-4-27-11-12-28(16-21-9-6-10-22(26-21)24(31)33-3)13-14-29(18-23(30)32-2)17-20-8-5-7-19(15-27)25-20;1-24-8-9-25(13-18-6-3-7-19(23-18)21(29)30)10-11-26(15-20(27)28)14-17-5-2-4-16(12-24)22-17;1-3-19-10-5-4-6-11-20(14-17(21)22-2)13-16-9-7-8-15(12-19)18-16;1-16(2,3)22-15(21)20-9-7-17-11-13-5-4-6-14(19-13)12-18-8-10-20;1-17-8-3-2-4-9-18(12-15(19)20)11-14-7-5-6-13(10-17)16-14;1-12-8(11)7-4-2-3-6(5-9)10-7;1-6(2,3)9-5(8)4-7;5*2-1-3/h10-12H,13-20H2,1-9H3;5-10H,4,11-18H2,1-3H3;2-7H,8-15H2,1H3,(H,27,28)(H,29,30);7-9H,3-6,10-14H2,1-2H3;4-6,17-18H,7-12H2,1-3H3;5-7H,2-4,8-12H2,1H3,(H,19,20);2-4H,5H2,1H3;4H2,1-3H3
• InChIKey: KQCXPHVOWYZKPQ-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 678.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 52
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2849.64
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid?

The IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid (CID 159207986) is tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid.

What is the SMILES notation for tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid?

The canonical SMILES for tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid is CC(C)(C)CN1CCN(C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)C1.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)N1CCNCc2cccc(n2)CNCC1.CCN1CCCCCN(CC(=O)OC)Cc2cccc(n2)C1.CCN1CCN(Cc2cccc(C(=O)OC)n2)CCN(CC(=O)OC)Cc2cccc(n2)C1.CN1CCCCCN(CC(=O)O)Cc2cccc(n2)C1.CN1CCN(Cc2cccc(C(=O)O)n2)CCN(CC(=O)O)Cc2cccc(n2)C1.COC(=O)c1cccc(CCl)n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid?

The InChIKey is KQCXPHVOWYZKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O4.C24H33N5O4.C21H27N5O4.C17H27N3O2.C16H26N4O2.C15H23N3O2.C8H8ClNO2.C6H11BrO2.5CO2/c1-25(2,3)20-30-14-16-31(24(33)35-27(7,8)9)15-13-29(19-23(32)34-26(4,5)6)17-21-11-10-12-22(18-30)28-21;1-4-27-11-12-28(16-21-9-6-10-22(26-21)24(31)33-3)13-14-29(18-23(30)32-2)17-20-8-5-7-19(15-27)25-20;1-24-8-9-25(13-18-6-3-7-19(23-18)21(29)30)10-11-26(15-20(27)28)14-17-5-2-4-16(12-24)22-17;1-3-19-10-5-4-6-11-20(14-17(21)22-2)13-16-9-7-8-15(12-19)18-16;1-16(2,3)22-15(21)20-9-7-17-11-13-5-4-6-14(19-13)12-18-8-10-20;1-17-8-3-2-4-9-18(12-15(19)20)11-14-7-5-6-13(10-17)16-14;1-12-8(11)7-4-2-3-6(5-9)10-7;1-6(2,3)9-5(8)4-7;5*2-1-3/h10-12H,13-20H2,1-9H3;5-10H,4,11-18H2,1-3H3;2-7H,8-15H2,1H3,(H,27,28)(H,29,30);7-9H,3-6,10-14H2,1-2H3;4-6,17-18H,7-12H2,1-3H3;5-7H,2-4,8-12H2,1H3,(H,19,20);2-4H,5H2,1H3;4H2,1-3H3;;;;;.

What are the key properties of tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid?

tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid has a molecular weight of 2849.64 g/mol, XLogP of 12.48, 22 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-bromoacetate;tert-butyl 3-(2,2-dimethylpropyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene-6-carboxylate;tert-butyl 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-6-carboxylate;pentakis(carbon dioxide);6-[[3-(carboxymethyl)-9-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid;methyl 6-(chloromethyl)pyridine-2-carboxylate;methyl 6-[[3-ethyl-9-(2-methoxy-2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]methyl]pyridine-2-carboxylate;methyl 2-(9-ethyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetate;2-(9-methyl-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl)acetic acid is sourced from PubChem (CID 159207986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).