(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid

C25H26N2O5S — CID 153277346

IUPAC(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
SMILESCS(=O)(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H26N2O5S/c1-33(31,32)27-22(24(29)30)17-18-23(28)26-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,27H,17-18H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1
InChIKeyAEFVQEZHDMGXEC-QFIPXVFZSA-N
MW466.56 g/mol
LogP2.88
Rot. Bonds10

About (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid

(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid (PubChem CID 153277346) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
PubChem CID153277346
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
SMILESCS(=O)(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H26N2O5S/c1-33(31,32)27-22(24(29)30)17-18-23(28)26-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,27H,17-18H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1
InChIKeyAEFVQEZHDMGXEC-QFIPXVFZSA-N
XLogP2.88
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 166481771
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benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
CID 148701312
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
N-tritylpentanamide
CID 71163215
(2S)-2-(benzenesulfonamido)-5-(methylamino)-5-oxopentanoic acid
CID 131860438
2-(tritylamino)pentanoic acid
CID 70010724
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 175863110
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175894610
(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid?
The IUPAC name of (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid (CID 153277346) is (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid is CS(=O)(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid?
The InChIKey is AEFVQEZHDMGXEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-33(31,32)27-22(24(29)30)17-18-23(28)26-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,27H,17-18H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid?
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid has a molecular weight of 466.56 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid is sourced from PubChem (CID 153277346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).