[3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate

C34H47N5O9 — CID 123624313

About [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate

[3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate (PubChem CID 123624313) has the molecular formula C34H47N5O9 and a molecular weight of 669.78 g/mol. Its IUPAC name is [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate.

Molecular Properties

• Compound Name: [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate
• PubChem CID: 123624313
• Molecular Formula: C34H47N5O9
• Molecular Weight: 669.78 g/mol
• Exact Mass: 669.34
• IUPAC Name: [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate
• SMILES: CC(C)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)Cc1cc(COC=O)on1)C(=O)C1(C)CO1
• InChI: InChI=1S/C34H47N5O9/c1-21(2)11-12-26(31(43)34(5)19-47-34)37-33(45)28(14-23-9-7-6-8-10-23)38-32(44)27(13-22(3)4)36-30(42)17-35-29(41)16-24-15-25(48-39-24)18-46-20-40/h6-10,15,20-22,26-28H,11-14,16-19H2,1-5H3,(H,35,41)(H,36,42)(H,37,45)(H,38,44)
• InChIKey: AXIOZAMGPOAJCJ-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 198.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.78
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate?

The IUPAC name of [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate (CID 123624313) is [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate.

What is the SMILES notation for [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate?

The canonical SMILES for [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate is CC(C)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)Cc1cc(COC=O)on1)C(=O)C1(C)CO1.

What is the InChIKey of [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate?

The InChIKey is AXIOZAMGPOAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N5O9/c1-21(2)11-12-26(31(43)34(5)19-47-34)37-33(45)28(14-23-9-7-6-8-10-23)38-32(44)27(13-22(3)4)36-30(42)17-35-29(41)16-24-15-25(48-39-24)18-46-20-40/h6-10,15,20-22,26-28H,11-14,16-19H2,1-5H3,(H,35,41)(H,36,42)(H,37,45)(H,38,44).

What are the key properties of [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate?

[3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate has a molecular weight of 669.78 g/mol, XLogP of 1.54, 21 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[[2-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl]methyl formate is sourced from PubChem (CID 123624313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).