5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C28H38N4O8 — CID 25125385

About 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 25125385) has the molecular formula C28H38N4O8 and a molecular weight of 558.63 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 25125385
• Molecular Formula: C28H38N4O8
• Molecular Weight: 558.63 g/mol
• Exact Mass: 558.27
• IUPAC Name: 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COCc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C28H38N4O8/c1-17(2)11-20(24(33)28(3)16-39-28)29-25(34)21(12-18-9-7-6-8-10-18)30-27(36)23(15-38-5)31-26(35)22-13-19(14-37-4)40-32-22/h6-10,13,17,20-21,23H,11-12,14-16H2,1-5H3,(H,29,34)(H,30,36)(H,31,35)/t20-,21-,23-,28+/m0/s1
• InChIKey: QLFCNRAETQCSIV-JRTUZJKCSA-N
• XLogP: 1.18
• TPSA: 161.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.63
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
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-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 25125385) is 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@@H](COC)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-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is QLFCNRAETQCSIV-JRTUZJKCSA-N. The full InChI is InChI=1S/C28H38N4O8/c1-17(2)11-20(24(33)28(3)16-39-28)29-25(34)21(12-18-9-7-6-8-10-18)30-27(36)23(15-38-5)31-26(35)22-13-19(14-37-4)40-32-22/h6-10,13,17,20-21,23H,11-12,14-16H2,1-5H3,(H,29,34)(H,30,36)(H,31,35)/t20-,21-,23-,28+/m0/s1.

What are the key properties of 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 558.63 g/mol, XLogP of 1.18, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methoxymethyl)-N-[(2S)-3-methoxy-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-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25125385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).