[(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

C20H33F2N3O7 — CID 140680620

About [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

[(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 140680620) has the molecular formula C20H33F2N3O7 and a molecular weight of 465.49 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 140680620
• Molecular Formula: C20H33F2N3O7
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.23
• IUPAC Name: [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• SMILES: CC(C)C[C@H](NC(=O)O)C(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C20H33F2N3O7/c1-10(2)6-12(15(26)20(5)9-32-20)23-17(28)14(8-31-18(21)22)24-16(27)13(7-11(3)4)25-19(29)30/h10-14,18,25H,6-9H2,1-5H3,(H,23,28)(H,24,27)(H,29,30)/t12-,13-,14-,20+/m0/s1
• InChIKey: UYHSITMIEPHFHB-DBHZFRFHSA-N
• XLogP: 1.28
• TPSA: 146.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (CID 140680620) is [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is CC(C)C[C@H](NC(=O)O)C(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.

What is the InChIKey of [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is UYHSITMIEPHFHB-DBHZFRFHSA-N. The full InChI is InChI=1S/C20H33F2N3O7/c1-10(2)6-12(15(26)20(5)9-32-20)23-17(28)14(8-31-18(21)22)24-16(27)13(7-11(3)4)25-19(29)30/h10-14,18,25H,6-9H2,1-5H3,(H,23,28)(H,24,27)(H,29,30)/t12-,13-,14-,20+/m0/s1.

What are the key properties of [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

[(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 465.49 g/mol, XLogP of 1.28, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 140680620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).