Basic information
- CAS
138865-77-7- Standard SMILES
CC(C)COC(=O)N[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(OC(=O)OCc2ccc(Br)cc2)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C- InChIKey
NOSLNGMGLUZOKG-CNKJTFKXSA-N- Molecular formula
- C51H65BrN8O15
- Average molar mass
- 1,110 g/mol
- Monoisotopic mass
- 1,108.37528
Overview
amino acid sequence given in first source
Names & identifiers
- Preferred name
- tert-butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(BrZ)tyrosyl-proline
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid
- English name
- tert-butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(BrZ)tyrosyl-proline
- Molecular formula
- C51H65BrN8O15
- Molecular weight
- 1110.0104
Names & synonyms
Boc-bgat-prooh138865-77-7tert-Butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(brz)tyrosyl-prolineBoc-val-ser(bzl)-gln-asn-tyr(brz)-pro-OHBoc-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosyl-prolineRefChem:188274(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acidL-Proline, 1-(O-(((4-bromophenyl)methoxy)carbonyl)-N-(N2-(N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-O-(phenylmethyl)-L-seryl)-L-glutaminyl)-L-asparaginyl)-L-tyrosyl)-
Database identifiers
- CAS
138865-77-7- PubChem CID
- 160033
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 343 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 31
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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