(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide

C34H36N4O5 — CID 162669801

IUPAC(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO
InChIInChI=1S/C34H36N4O5/c1-23(39)35-30(22-26-16-18-27-14-8-9-15-28(27)20-26)33(41)36-29(19-17-24-10-4-2-5-11-24)32(40)37-31(34(42)38-43)21-25-12-6-3-7-13-25/h2-16,18,20,29-31,43H,17,19,21-22H2,1H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t29-,30+,31-/m1/s1
InChIKeyJAKLESMJTPJPHG-MJSOWUPRSA-N
MW580.69 g/mol
LogP3.24
Rot. Bonds13

About (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide

(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide (PubChem CID 162669801) has the molecular formula C34H36N4O5 and a molecular weight of 580.69 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide
PubChem CID162669801
Molecular FormulaC34H36N4O5
Molecular Weight580.69 g/mol
Exact Mass580.27
IUPAC Name(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO
InChIInChI=1S/C34H36N4O5/c1-23(39)35-30(22-26-16-18-27-14-8-9-15-28(27)20-26)33(41)36-29(19-17-24-10-4-2-5-11-24)32(40)37-31(34(42)38-43)21-25-12-6-3-7-13-25/h2-16,18,20,29-31,43H,17,19,21-22H2,1H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t29-,30+,31-/m1/s1
InChIKeyJAKLESMJTPJPHG-MJSOWUPRSA-N
XLogP3.24
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 53.24
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide?
The IUPAC name of (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide (CID 162669801) is (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide?
The canonical SMILES for (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide is CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO.
What is the InChIKey of (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide?
The InChIKey is JAKLESMJTPJPHG-MJSOWUPRSA-N. The full InChI is InChI=1S/C34H36N4O5/c1-23(39)35-30(22-26-16-18-27-14-8-9-15-28(27)20-26)33(41)36-29(19-17-24-10-4-2-5-11-24)32(40)37-31(34(42)38-43)21-25-12-6-3-7-13-25/h2-16,18,20,29-31,43H,17,19,21-22H2,1H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t29-,30+,31-/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide?
(2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide has a molecular weight of 580.69 g/mol, XLogP of 3.24, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 162669801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).