(3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide

C30H42N2O7 — CID 159173617

About (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide

(3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide (PubChem CID 159173617) has the molecular formula C30H42N2O7 and a molecular weight of 542.67 g/mol. Its IUPAC name is (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide
• PubChem CID: 159173617
• Molecular Formula: C30H42N2O7
• Molecular Weight: 542.67 g/mol
• Exact Mass: 542.30
• IUPAC Name: (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide
• SMILES: COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)[C@@H]2CCOC2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C30H42N2O7/c1-19(31-28(35)22-12-13-38-17-22)26(33)16-23(14-21-8-10-24(37-3)11-9-21)29(36)32-25(15-20-6-4-5-7-20)27(34)30(2)18-39-30/h8-11,19-20,22-23,25H,4-7,12-18H2,1-3H3,(H,31,35)(H,32,36)/t19-,22-,23-,25+,30-/m1/s1
• InChIKey: AHNSDAXKPJSDNT-GXSDBVNOSA-N
• XLogP: 2.78
• TPSA: 123.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.67
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide?

The IUPAC name of (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide (CID 159173617) is (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide?

The canonical SMILES for (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide is COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)[C@@H]2CCOC2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide?

The InChIKey is AHNSDAXKPJSDNT-GXSDBVNOSA-N. The full InChI is InChI=1S/C30H42N2O7/c1-19(31-28(35)22-12-13-38-17-22)26(33)16-23(14-21-8-10-24(37-3)11-9-21)29(36)32-25(15-20-6-4-5-7-20)27(34)30(2)18-39-30/h8-11,19-20,22-23,25H,4-7,12-18H2,1-3H3,(H,31,35)(H,32,36)/t19-,22-,23-,25+,30-/m1/s1.

What are the key properties of (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide?

(3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide has a molecular weight of 542.67 g/mol, XLogP of 2.78, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 159173617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).