Boc-O-benzyl-Ser-Gly-Arg-p-nitroanilide
Basic information
- CAS
77220-80-5- Standard SMILES
CC(C)(C)OC(=O)NC(COCc1ccccc1)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
VVLVMZUTZYDQNL-UHFFFAOYSA-N- Molecular formula
- C29H40N8O8
- Average molar mass
- 628.7 g/mol
- Monoisotopic mass
- 628.29691026
Names & identifiers
- Preferred name
- Boc-O-benzyl-Ser-Gly-Arg-p-nitroanilide
- IUPAC
- tert-butyl N-[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
- English name
- N-t-Boc-O-benzyl-Ser-Gly-Arg p-nitroanilide
- Molecular formula
- C29H40N8O8
- Molecular weight
- 628.68
Names & synonyms
Boc-O-benzyl-Ser-Gly-Arg-p-nitroanilide77220-80-5DTXSID40401294RefChem:330056DTXCID70352149tert-butyl N-[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamateN-T-BOC-O-BENZYL-SER-GLY-ARG P-NITROANILIDEO-Benzyl-N-(tert-butoxycarbonyl)serylglycyl-N~5~-(diaminomethylidene)-N-(4-nitrophenyl)ornithinamideN-(tert-butoxycarbonyl)-O-benzyl-Ser-Gly-Arg-nitroanilideL-Argininamide, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serylglycyl-N-(4-nitrophenyl)- (9CI)
Database identifiers
- CAS
77220-80-5- PubChem CID
- 4255960
- DTXSID
DTXSID40401294
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Density
- 1.342 · 1.342±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 10.809 · 10.809±0.46(predicted)
- 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
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Compound notes
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