N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C30H37N3O6 — CID 148818677

About N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 148818677) has the molecular formula C30H37N3O6 and a molecular weight of 535.64 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
• PubChem CID: 148818677
• Molecular Formula: C30H37N3O6
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.27
• IUPAC Name: N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H]2CO2)cc1
• InChI: InChI=1S/C30H37N3O6/c1-19(31-29(36)22-10-6-7-11-22)28(35)33-25(17-21-12-14-23(38-2)15-13-21)30(37)32-24(27(34)26-18-39-26)16-20-8-4-3-5-9-20/h3-5,8-9,12-15,19,22,24-26H,6-7,10-11,16-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)/t19-,24+,25+,26-/m1/s1
• InChIKey: ORISHSFYDWTLCS-UAZYKBCHSA-N
• XLogP: 2.11
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?

The IUPAC name of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 148818677) is N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

What is the SMILES notation for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?

The canonical SMILES for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H]2CO2)cc1.

What is the InChIKey of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?

The InChIKey is ORISHSFYDWTLCS-UAZYKBCHSA-N. The full InChI is InChI=1S/C30H37N3O6/c1-19(31-29(36)22-10-6-7-11-22)28(35)33-25(17-21-12-14-23(38-2)15-13-21)30(37)32-24(27(34)26-18-39-26)16-20-8-4-3-5-9-20/h3-5,8-9,12-15,19,22,24-26H,6-7,10-11,16-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)/t19-,24+,25+,26-/m1/s1.

What are the key properties of N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?

N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 535.64 g/mol, XLogP of 2.11, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 148818677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).