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2799-07-7 molecular structure
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(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid

ChemBase ID: 795877
Molecular Formular: C22H21NO2S
Molecular Mass: 363.47264
Monoisotopic Mass: 363.12929992
SMILES and InChIs

SMILES:
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
Canonical SMILES:
N[C@H](C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
InChIKey:
DLMYFMLKORXJPO-FQEVSTJZSA-N

Cite this record

CBID:795877 http://www.chembase.cn/molecule-795877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid
Synonyms
S-Trityl-L-cysteine
CAS Number
2799-07-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O960 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O960 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.3713112  H Acceptors
H Donor LogD (pH = 5.5) 2.4407673 
LogD (pH = 7.4) 2.433321  Log P 2.440736 
Molar Refractivity 108.0724 cm3 Polarizability 42.008484 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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