UCSF

ZINC02379439

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 Yes

Popular Name: (R)-3-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acid (R)-3-((tert-Butoxycarbonyl)amin…

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CAS Numbers: 103365-47-5 , 14676-01-8 , 161024-80-2 , 458529-74-3 , [14676-01-8]

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) 1.33 0.67 -50.21 1 5 -1 78 264.301 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 123.4 Acros Organics
MP 135 - 137 Enamine Building Blocks
MP 135...137 Enamine Building Blocks
Melting_Point 142-144? dec. Alfa-Aesar
Melting_Point 142-144° dec. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Boiling_Point n.d. Squarix
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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