(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide

C27H38N4O4 — CID 90818904

IUPAC(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)c1cccn1C
InChIInChI=1S/C27H38N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)24-15-10-18-29(24)5)23(26(33)28-35)14-9-13-22-11-7-6-8-12-22/h6-13,15,18,20-21,23,35H,14,16-17,19H2,1-5H3,(H,28,33)/t23-/m0/s1
InChIKeyILAFZAJVUVZNST-QHCPKHFHSA-N
MW482.63 g/mol
LogP4.28
Rot. Bonds11

About (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide

(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide (PubChem CID 90818904) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
PubChem CID90818904
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)c1cccn1C
InChIInChI=1S/C27H38N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)24-15-10-18-29(24)5)23(26(33)28-35)14-9-13-22-11-7-6-8-12-22/h6-13,15,18,20-21,23,35H,14,16-17,19H2,1-5H3,(H,28,33)/t23-/m0/s1
InChIKeyILAFZAJVUVZNST-QHCPKHFHSA-N
XLogP4.28
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.28
H-Bond Donors ≤ 52
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-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide
CID 91581531
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
CID 91380940
(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
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-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-N-(oxan-2-yloxy)-5-phenylpent-4-enamide
CID 91307182
(2S)-2-amino-4-[[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)-6-phenylhex-5-enoyl]amino]-(2-methylpropyl)amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 173232992
(2S)-2-[(2R)-1-[2-[(2R)-2-aminopropanoyl]-2-(2-methylpropyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-N-hydroxy-5-phenylpent-4-enamide
CID 173233043
N-[(2R)-3-(hydroxyamino)-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-3-oxopropyl]benzamide
CID 54132103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide?
The IUPAC name of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide (CID 90818904) is (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide?
The canonical SMILES for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide is CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)c1cccn1C.
What is the InChIKey of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide?
The InChIKey is ILAFZAJVUVZNST-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)24-15-10-18-29(24)5)23(26(33)28-35)14-9-13-22-11-7-6-8-12-22/h6-13,15,18,20-21,23,35H,14,16-17,19H2,1-5H3,(H,28,33)/t23-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide?
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide has a molecular weight of 482.63 g/mol, XLogP of 4.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide is sourced from PubChem (CID 90818904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).