Cbz-Phe-psi((R,S)-cis-epoxide)Gly-Val
Basic information
- CAS
176442-49-2- Standard SMILES
CC(C)[C@H](NC(=O)CNC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O- InChIKey
HWQQUDCAYYKRLO-WIHVIGOGSA-N- Molecular formula
- C27H33N3O7
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.2318504
Names & identifiers
- Preferred name
- Cbz-Phe-psi((R,S)-cis-epoxide)Gly-Val
- IUPAC
- (2S)-3-methyl-2-[[2-[[2-[(2S,3R)-3-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]acetyl]amino]acetyl]amino]butanoic acid
Names & synonyms
Cbz-Phe-psi((R,S)-cis-epoxide)Gly-Val176442-49-2L-Valine, N-(N-((3-(2-phenyl-1-(((phenylmethoxy)carbonyl)amino)ethyl)oxiranyl)acetyl)glycyl)-, (2S-(2alpha,3alpha(R*)))-(2S)-2-[[2-[[2-[(2S,3R)-3-[(1S)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]oxiran-2-yl]acetyl]amino]acetyl]amino]-3-methyl-butanoic acidCbz-Phe- .psi.[(R,S)-cis-epoxide]Gly-Val(S)-2-(2-{2-[(2S,3R)-3-((S)-1-Benzyloxycarbonylamino-2-phenyl-ethyl)-oxiranyl]-ethanoylamino}-ethanoylamino)-3-methyl-butyric acidL-Valine, N-[N-[[3-[2-phenyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]oxiranyl]acetyl]glycyl]-, [2S-[2a,3a(R*)]]-
Database identifiers
- CAS
176442-49-2- PubChem CID
- 467747
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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