UCSF

ZINC02020491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 22 No

Popular Name: (S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butanoic acid (S)-3-Amino-4-oxo-4-(((R)-1-oxo-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 80863-62-3 , 99016-42-9 , [80863-62-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.77 -4.97 -41.21 5 7 0 125 331.438 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.618 Bitter DB
MP 132-137° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Indications Artificial sweetener KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )