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

C37H47N5O8 — CID 155568323

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

N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155568323) has the molecular formula C37H47N5O8 and a molecular weight of 689.81 g/mol. Its IUPAC name is N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 155568323
• Molecular Formula: C37H47N5O8
• Molecular Weight: 689.81 g/mol
• Exact Mass: 689.34
• IUPAC Name: N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C37H47N5O8/c1-23(2)18-28(32(43)37(4)22-49-37)39-34(45)29(20-26-14-10-7-11-15-26)40-36(47)31(21-48-5)41-33(44)27(17-16-25-12-8-6-9-13-25)38-35(46)30-19-24(3)50-42-30/h6-15,19,23,27-29,31H,16-18,20-22H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,41,44)/t27-,28-,29-,31-,37+/m0/s1
• InChIKey: JYIKOXSSMWASOA-OGTMVEIHSA-N
• XLogP: 2.46
• TPSA: 181.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	689.81
LogP ≤ 5	2.46
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 N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155568323) is N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is JYIKOXSSMWASOA-OGTMVEIHSA-N. The full InChI is InChI=1S/C37H47N5O8/c1-23(2)18-28(32(43)37(4)22-49-37)39-34(45)29(20-26-14-10-7-11-15-26)40-36(47)31(21-48-5)41-33(44)27(17-16-25-12-8-6-9-13-25)38-35(46)30-19-24(3)50-42-30/h6-15,19,23,27-29,31H,16-18,20-22H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,41,44)/t27-,28-,29-,31-,37+/m0/s1.

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

N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 689.81 g/mol, XLogP of 2.46, 19 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(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]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155568323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).