(4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid

C26H40N4O6 — CID 91046965

About (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid

(4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid (PubChem CID 91046965) has the molecular formula C26H40N4O6 and a molecular weight of 504.63 g/mol. Its IUPAC name is (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid
• PubChem CID: 91046965
• Molecular Formula: C26H40N4O6
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.29
• IUPAC Name: (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid
• SMILES: CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)[C@H](N)CCC(=O)O
• InChI: InChI=1S/C26H40N4O6/c1-18(2)13-15-23(31)30(29(17-19(3)4)26(35)21(27)14-16-24(32)33)22(25(34)28-36)12-8-11-20-9-6-5-7-10-20/h5-11,18-19,21-22,36H,12-17,27H2,1-4H3,(H,28,34)(H,32,33)/t21-,22+/m1/s1
• InChIKey: KDYMEJYPHCFASV-YADHBBJMSA-N
• XLogP: 2.82
• TPSA: 153.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid?

The IUPAC name of (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid (CID 91046965) is (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid is CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)[C@H](N)CCC(=O)O.

What is the InChIKey of (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid?

The InChIKey is KDYMEJYPHCFASV-YADHBBJMSA-N. The full InChI is InChI=1S/C26H40N4O6/c1-18(2)13-15-23(31)30(29(17-19(3)4)26(35)21(27)14-16-24(32)33)22(25(34)28-36)12-8-11-20-9-6-5-7-10-20/h5-11,18-19,21-22,36H,12-17,27H2,1-4H3,(H,28,34)(H,32,33)/t21-,22+/m1/s1.

What are the key properties of (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid?

(4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 504.63 g/mol, XLogP of 2.82, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 91046965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).