magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate

C34H34MgN4O3-2 — CID 155926599

About magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate

magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate (PubChem CID 155926599) has the molecular formula C34H34MgN4O3-2 and a molecular weight of 570.98 g/mol. Its IUPAC name is magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate.

Molecular Properties

• Compound Name: magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
• PubChem CID: 155926599
• Molecular Formula: C34H34MgN4O3-2
• Molecular Weight: 570.98 g/mol
• Exact Mass: 570.25
• IUPAC Name: magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
• SMILES: C=Cc1c2[n-]c(c1C)/C=C1\[N-]/C(=C3\c4[n-]c(c(C)c4C(=O)[C@@H]3C(=O)OC)/C=c3\[n-]/c(c(C)c3C)=C\2)[C@@H](CCC)[C@@H]1C.[Mg+2]
• InChI: InChI=1S/C34H35N4O3.Mg/c1-9-11-21-18(6)25-13-24-17(5)20(10-2)27(36-24)14-23-16(4)15(3)22(35-23)12-26-19(7)28-32(38-26)29(31(21)37-25)30(33(28)39)34(40)41-8;/h10,12-14,18,21,30H,2,9,11H2,1,3-8H3,(H-,37,38,39);/q-3;+2/p-1/b22-12-,23-14-,25-13-;/t18-,21-,30+;/m0./s1
• InChIKey: FUFZCGLAFUBGAG-DTSITQCJSA-M
• XLogP: 4.20
• TPSA: 99.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.98
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The IUPAC name of magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate (CID 155926599) is magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate.

What is the SMILES notation for magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The canonical SMILES for magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate is C=Cc1c2[n-]c(c1C)/C=C1\[N-]/C(=C3\c4[n-]c(c(C)c4C(=O)[C@@H]3C(=O)OC)/C=c3\[n-]/c(c(C)c3C)=C\2)[C@@H](CCC)[C@@H]1C.[Mg+2].

What is the InChIKey of magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The InChIKey is FUFZCGLAFUBGAG-DTSITQCJSA-M. The full InChI is InChI=1S/C34H35N4O3.Mg/c1-9-11-21-18(6)25-13-24-17(5)20(10-2)27(36-24)14-23-16(4)15(3)22(35-23)12-26-19(7)28-32(38-26)29(31(21)37-25)30(33(28)39)34(40)41-8;/h10,12-14,18,21,30H,2,9,11H2,1,3-8H3,(H-,37,38,39);/q-3;+2/p-1/b22-12-,23-14-,25-13-;/t18-,21-,30+;/m0./s1.

What are the key properties of magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate has a molecular weight of 570.98 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium methyl (1Z,3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,12,17,21,26-pentamethyl-4-oxo-22-propyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-3-carboxylate is sourced from PubChem (CID 155926599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).