magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate

C34H37MgN4O3- — CID 172675321

About magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate

magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate (PubChem CID 172675321) has the molecular formula C34H37MgN4O3- and a molecular weight of 574.00 g/mol. Its IUPAC name is magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate.

Molecular Properties

• Compound Name: magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
• PubChem CID: 172675321
• Molecular Formula: C34H37MgN4O3-
• Molecular Weight: 574.00 g/mol
• Exact Mass: 573.27
• IUPAC Name: magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(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)c4=C(O)[C@@H]3C(=O)OC)/C=c3\[nH]/c(c(C)c3CC)=C\2)[C@@H](CC)[C@@H]1C.[Mg+2]
• InChI: InChI=1S/C34H37N4O3.Mg/c1-9-19-15(4)22-12-24-17(6)21(11-3)31(37-24)29-30(34(40)41-8)33(39)28-18(7)25(38-32(28)29)14-27-20(10-2)16(5)23(36-27)13-26(19)35-22;/h9,12-14,17,21,30-31,36,39H,1,10-11H2,2-8H3;/q-3;+2/b23-13-,24-12-,27-14-;/t17-,21-,30+,31?;/m0./s1
• InChIKey: DETWSFYXRLIARI-HQRYNNSOSA-N
• XLogP: 2.73
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.00
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The IUPAC name of magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate (CID 172675321) is magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate.

What is the SMILES notation for magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The canonical SMILES for magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(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)c4=C(O)[C@@H]3C(=O)OC)/C=c3\[nH]/c(c(C)c3CC)=C\2)[C@@H](CC)[C@@H]1C.[Mg+2].

What is the InChIKey of magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

The InChIKey is DETWSFYXRLIARI-HQRYNNSOSA-N. The full InChI is InChI=1S/C34H37N4O3.Mg/c1-9-19-15(4)22-12-24-17(6)21(11-3)31(37-24)29-30(34(40)41-8)33(39)28-18(7)25(38-32(28)29)14-27-20(10-2)16(5)23(36-27)13-26(19)35-22;/h9,12-14,17,21,30-31,36,39H,1,10-11H2,2-8H3;/q-3;+2/b23-13-,24-12-,27-14-;/t17-,21-,30+,31?;/m0./s1.

What are the key properties of magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate?

magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate has a molecular weight of 574.00 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-4-hydroxy-12,17,21,26-tetramethyl-25-aza-7,23,24-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate is sourced from PubChem (CID 172675321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).