2-Amino-3-(biphenyl-4-yldiphenylmethylthio)propanoic acid

HCID 280618

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Basic information

CAS: 35959-93-4
Standard SMILES: NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIKey: VUGRSCSBFOUEBX-UHFFFAOYSA-N
Molecular formula: C28H25NO2S
Average molar mass: 439.6 g/mol
Monoisotopic mass: 439.16060021

Names & identifiers

Preferred name: 2-Amino-3-(biphenyl-4-yldiphenylmethylthio)propanoic acid
IUPAC: 2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid

Names & synonyms

MLS0029201632-Amino-3-(biphenyl-4-yldiphenylmethylthio)propanoic acid35959-93-4NSC132496CHEMBL1904582DTXSID90299744NSC-132496SMR001797760S-[([1,1'-Biphenyl]-4-yl)di(phenyl)methyl]cysteine

Database identifiers

CAS: 35959-93-4
PubChem CID: 280618
DTXSID: DTXSID90299744
ChEMBL: CHEMBL1904582

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 88.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 552

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