[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate

C32H45N3O7 — CID 6605345

About [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate

[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate (PubChem CID 6605345) has the molecular formula C32H45N3O7 and a molecular weight of 583.73 g/mol. Its IUPAC name is [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate.

Molecular Properties

• Compound Name: [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate
• PubChem CID: 6605345
• Molecular Formula: C32H45N3O7
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.33
• IUPAC Name: [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate
• SMILES: C=CC[C@H](CC(=O)NC1(CO)CCCC1)C(=O)NC1(COC(=O)[C@@H](CC=C)NC(=O)OCc2ccccc2)CCCC1
• InChI: InChI=1S/C32H45N3O7/c1-3-12-25(20-27(37)34-31(22-36)16-8-9-17-31)28(38)35-32(18-10-11-19-32)23-42-29(39)26(13-4-2)33-30(40)41-21-24-14-6-5-7-15-24/h3-7,14-15,25-26,36H,1-2,8-13,16-23H2,(H,33,40)(H,34,37)(H,35,38)/t25-,26-/m1/s1
• InChIKey: BSJFHQOKRCCWER-CLJLJLNGSA-N
• XLogP: 3.83
• TPSA: 143.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate?

The IUPAC name of [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate (CID 6605345) is [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate.

What is the SMILES notation for [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate?

The canonical SMILES for [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate is C=CC[C@H](CC(=O)NC1(CO)CCCC1)C(=O)NC1(COC(=O)[C@@H](CC=C)NC(=O)OCc2ccccc2)CCCC1.

What is the InChIKey of [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate?

The InChIKey is BSJFHQOKRCCWER-CLJLJLNGSA-N. The full InChI is InChI=1S/C32H45N3O7/c1-3-12-25(20-27(37)34-31(22-36)16-8-9-17-31)28(38)35-32(18-10-11-19-32)23-42-29(39)26(13-4-2)33-30(40)41-21-24-14-6-5-7-15-24/h3-7,14-15,25-26,36H,1-2,8-13,16-23H2,(H,33,40)(H,34,37)(H,35,38)/t25-,26-/m1/s1.

What are the key properties of [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate?

[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate has a molecular weight of 583.73 g/mol, XLogP of 3.83, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 6605345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).