N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen

C38H54N6O6 — CID 144562111

About N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen

N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 144562111) has the molecular formula C38H54N6O6 and a molecular weight of 690.89 g/mol. Its IUPAC name is N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen
• PubChem CID: 144562111
• Molecular Formula: C38H54N6O6
• Molecular Weight: 690.89 g/mol
• Exact Mass: 690.41
• IUPAC Name: N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen
• SMILES: CCCC(NC(=O)C(CCc1ccccc1)NC(=O)c1cnccn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C38H48N6O6.3H2/c1-5-12-28(41-35(47)29(18-17-26-13-8-6-9-14-26)42-37(49)32-23-39-19-20-40-32)34(46)44-31(22-27-15-10-7-11-16-27)36(48)43-30(21-25(2)3)33(45)38(4)24-50-38;;;/h6-11,13-16,19-20,23,25,28-31H,5,12,17-18,21-22,24H2,1-4H3,(H,41,47)(H,42,49)(H,43,48)(H,44,46);3*1H
• InChIKey: VLBRNOBJRFJPJC-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 171.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.89
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen?

The IUPAC name of N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen (CID 144562111) is N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen is CCCC(NC(=O)C(CCc1ccccc1)NC(=O)c1cnccn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen?

The InChIKey is VLBRNOBJRFJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O6.3H2/c1-5-12-28(41-35(47)29(18-17-26-13-8-6-9-14-26)42-37(49)32-23-39-19-20-40-32)34(46)44-31(22-27-15-10-7-11-16-27)36(48)43-30(21-25(2)3)33(45)38(4)24-50-38;;;/h6-11,13-16,19-20,23,25,28-31H,5,12,17-18,21-22,24H2,1-4H3,(H,41,47)(H,42,49)(H,43,48)(H,44,46);3*1H.

What are the key properties of N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen?

N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 690.89 g/mol, XLogP of 3.85, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 144562111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).