(2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide

C35H43N7O4 — CID 91142064

About (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide

(2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide (PubChem CID 91142064) has the molecular formula C35H43N7O4 and a molecular weight of 625.77 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide.

Molecular Properties

• Compound Name: (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide
• PubChem CID: 91142064
• Molecular Formula: C35H43N7O4
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.34
• IUPAC Name: (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide
• SMILES: CCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(=O)NO
• InChI: InChI=1S/C35H43N7O4/c1-4-5-11-20-42(23-26-16-18-27(19-17-26)28-14-9-10-15-29(28)32-37-40-41-38-32)35(45)31(22-25-12-7-6-8-13-25)36-33(43)30(21-24(2)3)34(44)39-46/h6-10,12-19,24,30-31,46H,4-5,11,20-23H2,1-3H3,(H,36,43)(H,39,44)(H,37,38,40,41)/t30-,31-/m0/s1
• InChIKey: JNSJBKXUGSLXLC-CONSDPRKSA-N
• XLogP: 4.95
• TPSA: 153.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide?

The IUPAC name of (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide (CID 91142064) is (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide.

What is the SMILES notation for (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide?

The canonical SMILES for (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide is CCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(=O)NO.

What is the InChIKey of (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide?

The InChIKey is JNSJBKXUGSLXLC-CONSDPRKSA-N. The full InChI is InChI=1S/C35H43N7O4/c1-4-5-11-20-42(23-26-16-18-27(19-17-26)28-14-9-10-15-29(28)32-37-40-41-38-32)35(45)31(22-25-12-7-6-8-13-25)36-33(43)30(21-24(2)3)34(44)39-46/h6-10,12-19,24,30-31,46H,4-5,11,20-23H2,1-3H3,(H,36,43)(H,39,44)(H,37,38,40,41)/t30-,31-/m0/s1.

What are the key properties of (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide?

(2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide has a molecular weight of 625.77 g/mol, XLogP of 4.95, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-hydroxy-2-(2-methylpropyl)-N'-[(2S)-1-oxo-1-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-phenylpropan-2-yl]propanediamide is sourced from PubChem (CID 91142064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).