5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C37H48N6O7 — CID 155553273

About 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155553273) has the molecular formula C37H48N6O7 and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 155553273
• Molecular Formula: C37H48N6O7
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.36
• IUPAC Name: 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C37H48N6O7/c1-22(2)16-27(32(44)37(6)21-49-37)39-34(46)29(19-25-12-8-7-9-13-25)41-33(45)28(17-23(3)4)40-35(47)30(20-26-14-10-11-15-38-26)42-36(48)31-18-24(5)50-43-31/h7-15,18,22-23,27-30H,16-17,19-21H2,1-6H3,(H,39,46)(H,40,47)(H,41,45)(H,42,48)/t27-,28-,29-,30-,37+/m0/s1
• InChIKey: ZMGVDIPFQKCTCC-UEYMUWAXSA-N
• XLogP: 2.87
• TPSA: 184.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 155553273) is 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.

What is the InChIKey of 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is ZMGVDIPFQKCTCC-UEYMUWAXSA-N. The full InChI is InChI=1S/C37H48N6O7/c1-22(2)16-27(32(44)37(6)21-49-37)39-34(46)29(19-25-12-8-7-9-13-25)41-33(45)28(17-23(3)4)40-35(47)30(20-26-14-10-11-15-38-26)42-36(48)31-18-24(5)50-43-31/h7-15,18,22-23,27-30H,16-17,19-21H2,1-6H3,(H,39,46)(H,40,47)(H,41,45)(H,42,48)/t27-,28-,29-,30-,37+/m0/s1.

What are the key properties of 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 688.83 g/mol, XLogP of 2.87, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155553273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).