(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide

C25H32N4O5 — CID 10479752

IUPAC(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
InChIInChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
InChIKeyALDQBTGTDJBFBQ-RTWAWAEBSA-N
MW468.55 g/mol
LogP1.46
Rot. Bonds13

About (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide

(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide (PubChem CID 10479752) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide.

Molecular Properties

Compound Name(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide
PubChem CID10479752
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
InChIInChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
InChIKeyALDQBTGTDJBFBQ-RTWAWAEBSA-N
XLogP1.46
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide?
The IUPAC name of (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide (CID 10479752) is (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide.
What is the SMILES notation for (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide?
The canonical SMILES for (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO.
What is the InChIKey of (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide?
The InChIKey is ALDQBTGTDJBFBQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1.
What are the key properties of (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide?
(2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide has a molecular weight of 468.55 g/mol, XLogP of 1.46, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-N-benzyl-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentane-1,2,5-tricarboxamide is sourced from PubChem (CID 10479752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).