[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

C26H42N4O6 — CID 177376898

About [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 177376898) has the molecular formula C26H42N4O6 and a molecular weight of 506.64 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
• PubChem CID: 177376898
• Molecular Formula: C26H42N4O6
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.31
• IUPAC Name: [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OC[C@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C26H42N4O6/c1-17(2)12-22(25(34)28-20(15-31)13-19-10-11-27-24(19)33)29-26(35)36-16-21-8-9-23(32)30(21)14-18-6-4-3-5-7-18/h15,17-22H,3-14,16H2,1-2H3,(H,27,33)(H,28,34)(H,29,35)/t19-,20-,21+,22-/m0/s1
• InChIKey: BQHNOSUNTGCFNQ-KJJMTIBFSA-N
• XLogP: 1.91
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The IUPAC name of [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CID 177376898) is [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

What is the SMILES notation for [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The canonical SMILES for [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC[C@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.

What is the InChIKey of [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The InChIKey is BQHNOSUNTGCFNQ-KJJMTIBFSA-N. The full InChI is InChI=1S/C26H42N4O6/c1-17(2)12-22(25(34)28-20(15-31)13-19-10-11-27-24(19)33)29-26(35)36-16-21-8-9-23(32)30(21)14-18-6-4-3-5-7-18/h15,17-22H,3-14,16H2,1-2H3,(H,27,33)(H,28,34)(H,29,35)/t19-,20-,21+,22-/m0/s1.

What are the key properties of [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 506.64 g/mol, XLogP of 1.91, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 177376898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).