(2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

C32H44N2O7 — CID 158907524

About (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

(2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (PubChem CID 158907524) has the molecular formula C32H44N2O7 and a molecular weight of 568.71 g/mol. Its IUPAC name is (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• PubChem CID: 158907524
• Molecular Formula: C32H44N2O7
• Molecular Weight: 568.71 g/mol
• Exact Mass: 568.31
• IUPAC Name: (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](CC2CC=CC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C32H44N2O7/c1-22(16-26(35)20-34-12-14-40-15-13-34)31(38)33-28(18-24-8-10-27(39-3)11-9-24)29(36)19-25(17-23-6-4-5-7-23)30(37)32(2)21-41-32/h4-5,8-11,22-23,25,28H,6-7,12-21H2,1-3H3,(H,33,38)/t22-,25-,28+,32-/m1/s1
• InChIKey: LWPDCRSCPFOPJG-VMIFHFHNSA-N
• XLogP: 2.94
• TPSA: 114.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.71
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The IUPAC name of (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (CID 158907524) is (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

What is the SMILES notation for (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The canonical SMILES for (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](CC2CC=CC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The InChIKey is LWPDCRSCPFOPJG-VMIFHFHNSA-N. The full InChI is InChI=1S/C32H44N2O7/c1-22(16-26(35)20-34-12-14-40-15-13-34)31(38)33-28(18-24-8-10-27(39-3)11-9-24)29(36)19-25(17-23-6-4-5-7-23)30(37)32(2)21-41-32/h4-5,8-11,22-23,25,28H,6-7,12-21H2,1-3H3,(H,33,38)/t22-,25-,28+,32-/m1/s1.

What are the key properties of (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

(2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide has a molecular weight of 568.71 g/mol, XLogP of 2.94, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,5R)-5-(cyclopent-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is sourced from PubChem (CID 158907524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).