tert-Butyl (S)-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxo-1-((4-(benzyloxy)phenyl)methyl)ethyl)carbamate
Basic information
- CAS
27601-29-2- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)ON1C(=O)CCC1=O- InChIKey
GKLFTQJJYUFASW-UHFFFAOYSA-N- Molecular formula
- C25H28N2O7
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.18965124
Names & identifiers
- Preferred name
- tert-Butyl (S)-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxo-1-((4-(benzyloxy)phenyl)methyl)ethyl)carbamate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
- English name
- tert-butyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(benzyloxy)phenyl]methyl]ethyl]carbamate
- Molecular formula
- C25H28N2O7
- Molecular weight
- 468.5
Names & synonyms
22601-29-2Boc-O-benzyl-L-tyrosine-N-hydroxysuccinimide esterEINECS 248-557-0NSC334285(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoateNSC 334285NSC-334285tert-Butyl (S)-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxo-1-((4-(benzyloxy)phenyl)methyl)ethyl)carbamateN-Boc-O4-benzyl-L-tyrosine succinimido ester(2,5-dioxopyrrolidin-1-yl) 3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoateCarbamic acid, (2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxo-1-((4-(phenylmethoxy)phenyl)methyl)ethyl)-, 1,1-dimethylethyl ester, (S)-(Tert-Butoxy)Carbonyl Tyr(Bzl)-OSu
Show more names
N-[ tert-butoxycarbonyl ]-O- (benzyl) -L- tyrosine succinimide esterN-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine 2,5-dioxo-1-pyrrolidinyl ester(S)-2,5-Dioxopyrrolidin-1-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoateL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 10.61 · 10.61±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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