(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide

C28H43N5O4 — CID 20657949

IUPAC(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide
SMILESCCC(CC)CN(C(=O)Cn1ccnc1)N(C(=O)CCC(C)C)[C@@H](CCCc1ccccc1)C(=O)NO
InChIInChI=1S/C28H43N5O4/c1-5-23(6-2)19-32(27(35)20-31-18-17-29-21-31)33(26(34)16-15-22(3)4)25(28(36)30-37)14-10-13-24-11-8-7-9-12-24/h7-9,11-12,17-18,21-23,25,37H,5-6,10,13-16,19-20H2,1-4H3,(H,30,36)/t25-/m0/s1
InChIKeyFSHUIIAUWASNKI-VWLOTQADSA-N
MW513.68 g/mol
LogP4.22
Rot. Bonds15

About (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide

(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide (PubChem CID 20657949) has the molecular formula C28H43N5O4 and a molecular weight of 513.68 g/mol. Its IUPAC name is (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide
PubChem CID20657949
Molecular FormulaC28H43N5O4
Molecular Weight513.68 g/mol
Exact Mass513.33
IUPAC Name(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide
SMILESCCC(CC)CN(C(=O)Cn1ccnc1)N(C(=O)CCC(C)C)[C@@H](CCCc1ccccc1)C(=O)NO
InChIInChI=1S/C28H43N5O4/c1-5-23(6-2)19-32(27(35)20-31-18-17-29-21-31)33(26(34)16-15-22(3)4)25(28(36)30-37)14-10-13-24-11-8-7-9-12-24/h7-9,11-12,17-18,21-23,25,37H,5-6,10,13-16,19-20H2,1-4H3,(H,30,36)/t25-/m0/s1
InChIKeyFSHUIIAUWASNKI-VWLOTQADSA-N
XLogP4.22
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide?
The IUPAC name of (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide (CID 20657949) is (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide is CCC(CC)CN(C(=O)Cn1ccnc1)N(C(=O)CCC(C)C)[C@@H](CCCc1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide?
The InChIKey is FSHUIIAUWASNKI-VWLOTQADSA-N. The full InChI is InChI=1S/C28H43N5O4/c1-5-23(6-2)19-32(27(35)20-31-18-17-29-21-31)33(26(34)16-15-22(3)4)25(28(36)30-37)14-10-13-24-11-8-7-9-12-24/h7-9,11-12,17-18,21-23,25,37H,5-6,10,13-16,19-20H2,1-4H3,(H,30,36)/t25-/m0/s1.
What are the key properties of (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide?
(2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide has a molecular weight of 513.68 g/mol, XLogP of 4.22, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-ethylbutyl-(2-imidazol-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 20657949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).