(2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid

C24H32N5O6P — CID 24828178

About (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid

(2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid (PubChem CID 24828178) has the molecular formula C24H32N5O6P and a molecular weight of 517.52 g/mol. Its IUPAC name is (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
• PubChem CID: 24828178
• Molecular Formula: C24H32N5O6P
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.21
• IUPAC Name: (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)P(=O)(O)C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)O
• InChI: InChI=1S/C24H32N5O6P/c1-15(2)8-22(28-23(30)20(25)10-18-12-26-14-27-18)36(33,34)13-17(24(31)32)9-19-11-21(29-35-19)16-6-4-3-5-7-16/h3-7,11-12,14-15,17,20,22H,8-10,13,25H2,1-2H3,(H,26,27)(H,28,30)(H,31,32)(H,33,34)/t17-,20+,22+/m1/s1
• InChIKey: UIGLVDXKOQRHHN-AGHHOFFYSA-N
• XLogP: 2.64
• TPSA: 184.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid?

The IUPAC name of (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid (CID 24828178) is (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid.

What is the SMILES notation for (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid?

The canonical SMILES for (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)P(=O)(O)C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)O.

What is the InChIKey of (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid?

The InChIKey is UIGLVDXKOQRHHN-AGHHOFFYSA-N. The full InChI is InChI=1S/C24H32N5O6P/c1-15(2)8-22(28-23(30)20(25)10-18-12-26-14-27-18)36(33,34)13-17(24(31)32)9-19-11-21(29-35-19)16-6-4-3-5-7-16/h3-7,11-12,14-15,17,20,22H,8-10,13,25H2,1-2H3,(H,26,27)(H,28,30)(H,31,32)(H,33,34)/t17-,20+,22+/m1/s1.

What are the key properties of (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid?

(2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 517.52 g/mol, XLogP of 2.64, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[[(1S)-1-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutyl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 24828178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).