(2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide

C33H43N3O7 — CID 160931478

About (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide

(2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide (PubChem CID 160931478) has the molecular formula C33H43N3O7 and a molecular weight of 593.72 g/mol. Its IUPAC name is (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide
• PubChem CID: 160931478
• Molecular Formula: C33H43N3O7
• Molecular Weight: 593.72 g/mol
• Exact Mass: 593.31
• IUPAC Name: (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide
• SMILES: Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2C(=O)C[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C33H43N3O7/c1-21(2)17-26(31(40)33(4)20-42-33)34-32(41)24(13-12-23-9-6-5-7-10-23)19-29(38)27-11-8-16-36(27)30(39)15-14-28(37)25-18-22(3)43-35-25/h5-7,9-10,18,21,24,26-27H,8,11-17,19-20H2,1-4H3,(H,34,41)/t24-,26+,27+,33-/m1/s1
• InChIKey: STICQQRXBWGXPP-XZQYHIRVSA-N
• XLogP: 4.03
• TPSA: 139.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.72
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
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 (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide?

The IUPAC name of (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide (CID 160931478) is (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide.

What is the SMILES notation for (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide?

The canonical SMILES for (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide is Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2C(=O)C[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.

What is the InChIKey of (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide?

The InChIKey is STICQQRXBWGXPP-XZQYHIRVSA-N. The full InChI is InChI=1S/C33H43N3O7/c1-21(2)17-26(31(40)33(4)20-42-33)34-32(41)24(13-12-23-9-6-5-7-10-23)19-29(38)27-11-8-16-36(27)30(39)15-14-28(37)25-18-22(3)43-35-25/h5-7,9-10,18,21,24,26-27H,8,11-17,19-20H2,1-4H3,(H,34,41)/t24-,26+,27+,33-/m1/s1.

What are the key properties of (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide?

(2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide has a molecular weight of 593.72 g/mol, XLogP of 4.03, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-[(2S)-1-[4-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanoyl]pyrrolidin-2-yl]-4-oxo-2-(2-phenylethyl)butanamide is sourced from PubChem (CID 160931478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).