Basic information
- CAS
174063-88-8- Standard SMILES
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(C)C(=O)NC(C=O)CC(=O)O)C(C)C- InChIKey
YUXRGGDCVWEIKF-VJARNRFFSA-N- Molecular formula
- C23H32N4O8
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.22201399
Names & identifiers
- Preferred name
- 3-[2-[[2-[[2-Acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-oxobutanoic acid
- IUPAC
- 3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-oxobutanoic acid
- English name
- AC-YVAD-CHO
- Molecular formula
- C24H34N4O8
- Molecular weight
- 506.55
Names & synonyms
174063-88-83-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-oxobutanoic acidAc-Tyr-Val-Ala-Asp-AldehydeDTXSID70938462AL013HMS3740M19IAT-3165-VAc-Tyr-Val-Ala-Asp-H (aldehyde)ICE (CASPASE I) INHIBITOR I3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-4-oxo-butanoic acidN-Acetyl-Tyr-Val-Ala-Glu-al, >=98% (TLC)13-Formyl-2,5,8,11-tetrahydroxy-4-[(4-hydroxyphenyl)methyl]-10-methyl-7-(propan-2-yl)-3,6,9,12-tetraazapentadeca-2,5,8,11-tetraen-15-oic acid
Show more names
YVAD-CHOL-709049AC-YVAD-CHOICE INHIBITORICE INHIBITOR IAC-YVAD-ALDEHYDETYR-VAL-ALA-ASP-CHOCASPASE INHIBITOR IACETYL-YVAD-ALDEHYDE
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Boiling point
- 959.408 · 959.408±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- form
- liquid
- pka
- 4.449 · 4.449±0.10(predicted)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 54 · NA.54
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesCaspase-1 inhibitor I is an inhibitor of caspase-1, caspase-4, and caspase-5.
Suppliers2 total
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…