(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C25H33N3O7S — CID 10625771

IUPAC(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCN(C(=O)[C@@H](O)CCc1ccccc1)[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1
InChIKeyPTGMPWHDIULCAR-PMOQBDJRSA-N
MW519.62 g/mol
LogP1.56
Rot. Bonds11

About (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10625771) has the molecular formula C25H33N3O7S and a molecular weight of 519.62 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10625771
Molecular FormulaC25H33N3O7S
Molecular Weight519.62 g/mol
Exact Mass519.20
IUPAC Name(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCN(C(=O)[C@@H](O)CCc1ccccc1)[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1
InChIKeyPTGMPWHDIULCAR-PMOQBDJRSA-N
XLogP1.56
TPSA136.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10625771) is (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is CCCN(C(=O)[C@@H](O)CCc1ccccc1)[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PTGMPWHDIULCAR-PMOQBDJRSA-N. The full InChI is InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 519.62 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10625771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).