(2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C25H46N6O6 — CID 24851027

About (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

(2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 24851027) has the molecular formula C25H46N6O6 and a molecular weight of 526.68 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• PubChem CID: 24851027
• Molecular Formula: C25H46N6O6
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.35
• IUPAC Name: (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
• InChI: InChI=1S/C25H46N6O6/c1-15(2)12-17(14-21(32)30-37)23(34)29-19(13-16(3)4)25(36)31-11-7-9-20(31)24(35)28-18(22(27)33)8-5-6-10-26/h15-20,37H,5-14,26H2,1-4H3,(H2,27,33)(H,28,35)(H,29,34)(H,30,32)/t17-,18+,19+,20+/m1/s1
• InChIKey: JJJJPZPWOSIDPU-FYQPLNBISA-N
• XLogP: 0.17
• TPSA: 196.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The IUPAC name of (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 24851027) is (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

What is the SMILES notation for (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The canonical SMILES for (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O.

What is the InChIKey of (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The InChIKey is JJJJPZPWOSIDPU-FYQPLNBISA-N. The full InChI is InChI=1S/C25H46N6O6/c1-15(2)12-17(14-21(32)30-37)23(34)29-19(13-16(3)4)25(36)31-11-7-9-20(31)24(35)28-18(22(27)33)8-5-6-10-26/h15-20,37H,5-14,26H2,1-4H3,(H2,27,33)(H,28,35)(H,29,34)(H,30,32)/t17-,18+,19+,20+/m1/s1.

What are the key properties of (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

(2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 526.68 g/mol, XLogP of 0.17, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 24851027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).