Benzyloxycarbonylglycyl-glycyl-arginine-4-nitroanilide
Basic information
- CAS
89991-62-8- Standard SMILES
NC(N)=NCCC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1- InChIKey
RWCKIBIFOGHKCK-IBGZPJMESA-N- Molecular formula
- C24H30N8O7
- Average molar mass
- 542.5 g/mol
- Monoisotopic mass
- 542.22374533
Overview
synthetic trypsin substrate
Names & identifiers
- Preferred name
- Benzyloxycarbonylglycyl-glycyl-arginine-4-nitroanilide
- IUPAC
- benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
- English name
- Benzyloxycarbonyl glycyl-glycyl-arginine-4-nitroanilide
- Molecular formula
- C24H30N8O7
- Molecular weight
- 542.55
Names & synonyms
Benzyloxycarbonylglycyl-glycyl-arginine-4-nitroanilideZ-Ggapa89991-62-8Z-Gly-gly-arg-para-nitroanilideDTXSID80237973Benzyloxycarbonyl glycyl-glycyl-arginine-4-nitroanilideL-Argininamide, N-((phenylmethoxy)carbonyl)glycylglycyl-N-(4-nitrophenyl)-, (2S-trans)-RefChem:118981DTXCID30160464benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamateN-[(Benzyloxy)carbonyl]glycyl-N-[(2S)-5-[(diaminomethylidene)amino]-2-(4-nitroanilino)pentanoyl]glycinamideL-Argininamide, N-[(phenylmethoxy)carbonyl]glycylglycyl-N-(4-nitrophenyl)- (9CI)
Database identifiers
- CAS
89991-62-8- PubChem CID
- 146115
- DTXSID
DTXSID80237973
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 861
Physicochemical properties
- Density
- 1.43 · 1.430±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.027 · 11.027±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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