L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-

Base Information

• Chemical Name: L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-
• CAS No.: 129252-79-5
• Molecular Formula: C40H54 N4 O5
• Molecular Weight: 670.8806
• DSSTox Substance ID: DTXSID50156127
• Nikkaji Number: J380.517D
• Wikidata: Q83024141
• ChEMBL ID: CHEMBL3143353
• Mol file: 129252-79-5.mol

Synonyms:tBu-CH2C(O)-CH2Ph-Leu-Phe-NH2;129252-79-5;6-Phenyl-5-neopentylamido-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone;L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-;L-Phenylalaninamide, N-[5-[(3,3-dimethyl-1-oxobutyl)amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-leucyl-, [2R-(2R*,4S*,5S*)]-;Hydroxyethylene deriv. 3;BDBM752;CHEMBL3143353;DTXSID50156127;(2R,4S,5S)-2-benzyl-N-[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanamide;(2R,4S,5S)-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenyl-hexanamide

Chemical Property of L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 965°Cat760mmHg
• Flash Point: 537.4°C
• Density: 1.132g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 19
• Exact Mass: 670.40942084
• Heavy Atom Count: 49
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)CC(C)(C)C)O
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)CC(C)(C)C)O