(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-((S)-phenylglycyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
Basic information
- CAS
161389-21-5- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)NCc1ccccc1- InChIKey
UIUVVYHPBWPHDQ-WVBQXTTCSA-N- Molecular formula
- C46H51N5O6
- Average molar mass
- 769.9 g/mol
- Monoisotopic mass
- 769.38393436
Names & identifiers
- Preferred name
- (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-((S)-phenylglycyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
- IUPAC
- benzyl N-[(1S)-2-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-2-oxo-1-phenylethyl]carbamate
Names & synonyms
161389-21-5(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-((S)-phenylglycyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID70167134RefChem:206781DTXCID7089625Statine deriv. 25BDBM945CHEMBL105301Gly-Val-Sta, 5PhBuCOOH deriv.(2R,3S,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]-((S)-phenylglycyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(1S)-2-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-2-oxo-1-phenylethyl]carbamatebenzyl N-[(1S)-2-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]amino]-2-oxo-1-phenyl-ethyl]carbamate
Show more names
benzyl N-[(S)-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}(phenyl)methyl]carbamate
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…