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

C33H41N5O6 — CID 135268051

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

5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 135268051) has the molecular formula C33H41N5O6 and a molecular weight of 603.72 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 135268051
• Molecular Formula: C33H41N5O6
• Molecular Weight: 603.72 g/mol
• Exact Mass: 603.31
• IUPAC Name: 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@](C)(Cc2ccncc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C33H41N5O6/c1-21(2)17-26(28(39)33(5)20-43-33)36-31(42)32(4,19-24-13-15-34-16-14-24)37-30(41)25(12-11-23-9-7-6-8-10-23)35-29(40)27-18-22(3)44-38-27/h6-10,13-16,18,21,25-26H,11-12,17,19-20H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,32+,33+/m0/s1
• InChIKey: FXVWNGUANJDZRL-PKEWHSBVSA-N
• XLogP: 3.12
• TPSA: 155.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.72
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
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 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide (CID 135268051) is 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@](C)(Cc2ccncc2)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-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is FXVWNGUANJDZRL-PKEWHSBVSA-N. The full InChI is InChI=1S/C33H41N5O6/c1-21(2)17-26(28(39)33(5)20-43-33)36-31(42)32(4,19-24-13-15-34-16-14-24)37-30(41)25(12-11-23-9-7-6-8-10-23)35-29(40)27-18-22(3)44-38-27/h6-10,13-16,18,21,25-26H,11-12,17,19-20H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,32+,33+/m0/s1.

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

5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 603.72 g/mol, XLogP of 3.12, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(2S)-1-[[(2R)-2-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135268051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).