N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide

C23H33F3N4O7 — CID 166170031

About N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide

N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide (PubChem CID 166170031) has the molecular formula C23H33F3N4O7 and a molecular weight of 534.53 g/mol. Its IUPAC name is N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide
• PubChem CID: 166170031
• Molecular Formula: C23H33F3N4O7
• Molecular Weight: 534.53 g/mol
• Exact Mass: 534.23
• IUPAC Name: N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide
• SMILES: CC1(NC(=O)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)COC(F)(F)F)CCOCC1
• InChI: InChI=1S/C23H33F3N4O7/c1-22(5-8-36-9-6-22)30-21(35)20(34)29-16(10-13-2-3-13)19(33)28-15(11-14-4-7-27-18(14)32)17(31)12-37-23(24,25)26/h13-16H,2-12H2,1H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t14-,15-,16-/m0/s1
• InChIKey: QIWZMHYJQARCHC-JYJNAYRXSA-N
• XLogP: 0.07
• TPSA: 151.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.53
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide?

The IUPAC name of N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide (CID 166170031) is N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide.

What is the SMILES notation for N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide?

The canonical SMILES for N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide is CC1(NC(=O)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)COC(F)(F)F)CCOCC1.

What is the InChIKey of N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide?

The InChIKey is QIWZMHYJQARCHC-JYJNAYRXSA-N. The full InChI is InChI=1S/C23H33F3N4O7/c1-22(5-8-36-9-6-22)30-21(35)20(34)29-16(10-13-2-3-13)19(33)28-15(11-14-4-7-27-18(14)32)17(31)12-37-23(24,25)26/h13-16H,2-12H2,1H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t14-,15-,16-/m0/s1.

What are the key properties of N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide?

N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide has a molecular weight of 534.53 g/mol, XLogP of 0.07, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(4-methyloxan-4-yl)oxamide is sourced from PubChem (CID 166170031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).