(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

C25H26N2O5S — CID 127044036

IUPAC(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NCCc1ccccc1
InChIInChI=1S/C25H26N2O5S/c28-24(26-18-17-19-7-3-1-4-8-19)16-15-23(25(29)30)27-33(31,32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2,(H,26,28)(H,29,30)/t23-/m0/s1
InChIKeyZWFVIZGPXNSREN-QHCPKHFHSA-N
MW466.56 g/mol
LogP3.22
Rot. Bonds11

About (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (PubChem CID 127044036) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
PubChem CID127044036
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NCCc1ccccc1
InChIInChI=1S/C25H26N2O5S/c28-24(26-18-17-19-7-3-1-4-8-19)16-15-23(25(29)30)27-33(31,32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2,(H,26,28)(H,29,30)/t23-/m0/s1
InChIKeyZWFVIZGPXNSREN-QHCPKHFHSA-N
XLogP3.22
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (CID 127044036) is (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is O=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NCCc1ccccc1.
What is the InChIKey of (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is ZWFVIZGPXNSREN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N2O5S/c28-24(26-18-17-19-7-3-1-4-8-19)16-15-23(25(29)30)27-33(31,32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2,(H,26,28)(H,29,30)/t23-/m0/s1.
What are the key properties of (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
(2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 466.56 g/mol, XLogP of 3.22, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-5-(2-phenylethylamino)-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 127044036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).