(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid

C28H25NO2S — CID 51356551

IUPAC(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C28H25NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1
InChIKeyVUGRSCSBFOUEBX-SANMLTNESA-N
MW439.58 g/mol
LogP5.79
Rot. Bonds8

About (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid

(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid (PubChem CID 51356551) has the molecular formula C28H25NO2S and a molecular weight of 439.58 g/mol. Its IUPAC name is (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
PubChem CID51356551
Molecular FormulaC28H25NO2S
Molecular Weight439.58 g/mol
Exact Mass439.16
IUPAC Name(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C28H25NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1
InChIKeyVUGRSCSBFOUEBX-SANMLTNESA-N
XLogP5.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[(4-hydroxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 24860496
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
CID 24860488
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
CID 24860491
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanamide
CID 71170093
(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 67126813
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]-3-tritylsulfanylpropanamide
CID 138708285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid (CID 51356551) is (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid?
The InChIKey is VUGRSCSBFOUEBX-SANMLTNESA-N. The full InChI is InChI=1S/C28H25NO2S/c29-26(27(30)31)20-32-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)21-10-4-1-5-11-21/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1.
What are the key properties of (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid has a molecular weight of 439.58 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid is sourced from PubChem (CID 51356551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).