(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide

C26H37N5O4 — CID 91581531

IUPAC(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C26H37N5O4/c1-19(2)13-14-24(32)31(30(17-20(3)4)25(33)15-22-16-27-18-28-22)23(26(34)29-35)12-8-11-21-9-6-5-7-10-21/h5-11,16,18-20,23,35H,12-15,17H2,1-4H3,(H,27,28)(H,29,34)/t23-/m0/s1
InChIKeyHBENCNKTFZXUMA-QHCPKHFHSA-N
MW483.61 g/mol
LogP3.59
Rot. Bonds12

About (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide

(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide (PubChem CID 91581531) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide
PubChem CID91581531
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C26H37N5O4/c1-19(2)13-14-24(32)31(30(17-20(3)4)25(33)15-22-16-27-18-28-22)23(26(34)29-35)12-8-11-21-9-6-5-7-10-21/h5-11,16,18-20,23,35H,12-15,17H2,1-4H3,(H,27,28)(H,29,34)/t23-/m0/s1
InChIKeyHBENCNKTFZXUMA-QHCPKHFHSA-N
XLogP3.59
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.59
H-Bond Donors ≤ 53
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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Related Compounds

(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl(pyridine-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
CID 90828885
(4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid
CID 91046965
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
CID 91380940
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
CID 90818904
tert-butyl (2S)-2-[4-methylpentanoyl-[2-methylpropyl-[2-(2H-tetrazol-5-yl)acetyl]amino]amino]-5-phenylpent-4-enoate
CID 91254744
(2S)-2-[[[(2R)-2-aminopropanoyl]-(2-methylpropyl)amino]-(3-cyclobutylpropanoyl)amino]-N-hydroxy-5-phenylpent-4-enamide
CID 90733333
N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide
CID 91009155
(2S)-2-[[(2-acetamidoacetyl)-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-N-[(2R)-oxan-2-yl]oxy-5-phenylpent-4-enamide
CID 90961848
(2S)-2-[[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-N-(oxan-2-yloxy)-5-phenylpent-4-enamide
CID 91307182
N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
CID 46990687
(3S)-4-(1H-imidazol-5-yl)-3-(methylamino)-1-[4-[(E)-2-phenylethenyl]phenyl]butan-2-one
CID 129207964
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide?
The IUPAC name of (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide (CID 91581531) is (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide is CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)Cc1cnc[nH]1.
What is the InChIKey of (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide?
The InChIKey is HBENCNKTFZXUMA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-19(2)13-14-24(32)31(30(17-20(3)4)25(33)15-22-16-27-18-28-22)23(26(34)29-35)12-8-11-21-9-6-5-7-10-21/h5-11,16,18-20,23,35H,12-15,17H2,1-4H3,(H,27,28)(H,29,34)/t23-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide?
(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide has a molecular weight of 483.61 g/mol, XLogP of 3.59, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide is sourced from PubChem (CID 91581531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).