N-Isobutyryl-D-cysteine
Completing data — refresh the page later to see the latest
Basic information
- CAS
124529-07-3- Standard SMILES
CC(C)C(=O)N[C@H](CS)C(=O)O- InChIKey
BWBQXMAXLAHHTK-RXMQYKEDSA-N- Molecular formula
- C7H13NO3S
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.06161445
Names & identifiers
- Preferred name
- N-Isobutyryl-D-cysteine
- IUPAC
- (2S)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid
- English name
- N-ISOBUTYRYL-D-CYSTEINE
- Molecular formula
- C7H13NO3S
- Molecular weight
- 191.25
Names & synonyms
N-Isobutyryl-D-cysteine124529-07-3(2S)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acidN-(2-Methylpropanoyl)-D-cysteineN-isobutyryl-d-cysorb2940995SCHEMBL3014643DTXSID00357425BWBQXMAXLAHHTK-RXMQYKEDSA-NMFCD00155641TXB-00121SY346177
Show more names
I-BUT-D-CYS-OHISOBUTYRYL-D-CYS-OHISOBUTYRYL-D-CYSTEINEN-(2-METHYLPROPIONYL)-D-CYSTEINEN-ISOBUTYRYL-D-CYSTEINE USP/EP/BPD-Cysteine, N-(2-methyl-1-oxopropyl)-N-ISOBUTYRYL-D-CYSTEINE FLUKABRAND &(2S)-2-(2-methylpropanoylamino)-3-sulfanylpropanoicaci
HY-167559N-Isobutyryl-D-cysteine, for chiral derivatization, >=97.0%
Database identifiers
- CAS
124529-07-3- PubChem CID
- 853428
- DTXSID
DTXSID00357425- Nikkaji
- J591.006D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 97 · 97-101 °C(lit.)
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C7H13NO3S/c1-4(2)6(9)8-5(3-12)7(10)11/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
- InChIKey
- BWBQXMAXLAHHTK-RXMQYKEDSA-N
- SMILES
- CC(C)C(=O)N[C@H](CS)C(O)=O
- UNSPSC Code
- 12000000 · 12000000
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-23
- Storage Class
- 13 · 13 - Non Combustible Solids
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
- F
- 3-10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Applications
UsesN-Isobutyryl-D-cysteine is a kind of biochemical reagent.
Related reactions
1 records
Compound notes
Loading…