Basic information
- CAS
84614-60-8- Standard SMILES
C[C@H](N)C(=O)N(C(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)C(=O)Nc1ccc2ncccc2c1- InChIKey
PKIIMGRIJRIORH-BZSNNMDCSA-N- Molecular formula
- C26H29N5O5
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.21686904
Overview
elastase-specific fluorogenic substrate
Names & identifiers
- Preferred name
- 6-(N-carbobenzoxy-alanyl-alanyl-alanylamido)quinoline
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-2-aminopropanoyl]-[(2S)-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
- English name
- 6-(N-Carbobenzoxy-alanyl-alanyl-alanylamido)quinoline
- Molecular formula
- C26H29N5O5
- Molecular weight
- 491.54
Names & synonyms
CAAAQ6-(N-Carbobenzoxy-alanyl-alanyl-alanylamido)quinoline84614-60-86-(N-Cbz-ala-ala-ala-amido)quinolineDTXSID50233624RefChem:104106DTXCID80156115benzyl N-[(2S)-1-[[(2S)-2-aminopropanoyl]-[(2S)-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]carbamateL-Alanyl-N~2~-{N-[(benzyloxy)carbonyl]-L-alanyl}-N-(quinolin-6-yl)-L-alaninamide
Database identifiers
- CAS
84614-60-8- PubChem CID
- 5487699
- DTXSID
DTXSID50233624
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Boiling point
- 855.3 · 855.300±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.137 · 11.137±0.46(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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