(4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid

C33H46N8O7 — CID 154916611

About (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid

(4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid (PubChem CID 154916611) has the molecular formula C33H46N8O7 and a molecular weight of 666.78 g/mol. Its IUPAC name is (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid.

Molecular Properties

• Compound Name: (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid
• PubChem CID: 154916611
• Molecular Formula: C33H46N8O7
• Molecular Weight: 666.78 g/mol
• Exact Mass: 666.35
• IUPAC Name: (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid
• SMILES: CCc1nc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c(C)[nH]1.O=CO
• InChI: InChI=1S/C32H44N8O5.CH2O2/c1-6-28-34-20(4)27(36-28)18-40-13-12-33-30(42)25(15-22-10-8-7-9-11-22)38-31(43)24(14-19(2)3)37-29(41)21(5)35-32(44)26-16-23(17-40)45-39-26;2-1-3/h7-11,16,19,21,24-25H,6,12-15,17-18H2,1-5H3,(H,33,42)(H,34,36)(H,35,44)(H,37,41)(H,38,43);1H,(H,2,3)/t21-,24-,25-;/m1./s1
• InChIKey: SPANGTKSYKZYEW-MPSRYNGLSA-N
• XLogP: 1.48
• TPSA: 211.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.78
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid?

The IUPAC name of (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid (CID 154916611) is (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid.

What is the SMILES notation for (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid?

The canonical SMILES for (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid is CCc1nc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c(C)[nH]1.O=CO.

What is the InChIKey of (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid?

The InChIKey is SPANGTKSYKZYEW-MPSRYNGLSA-N. The full InChI is InChI=1S/C32H44N8O5.CH2O2/c1-6-28-34-20(4)27(36-28)18-40-13-12-33-30(42)25(15-22-10-8-7-9-11-22)38-31(43)24(14-19(2)3)37-29(41)21(5)35-32(44)26-16-23(17-40)45-39-26;2-1-3/h7-11,16,19,21,24-25H,6,12-15,17-18H2,1-5H3,(H,33,42)(H,34,36)(H,35,44)(H,37,41)(H,38,43);1H,(H,2,3)/t21-,24-,25-;/m1./s1.

What are the key properties of (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid?

(4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid has a molecular weight of 666.78 g/mol, XLogP of 1.48, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R,10R)-10-benzyl-15-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methyl-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone;formic acid is sourced from PubChem (CID 154916611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).