N-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2-Phenylethyl](Hydroxy)phosphoryl]-L-Leucyl-L-Alanine

Base Information

• Chemical Name: N-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2-Phenylethyl](Hydroxy)phosphoryl]-L-Leucyl-L-Alanine
• CAS No.: 110786-00-0
• Molecular Formula: C25H34 N3 O7 P
• Molecular Weight: 519.5271
• DSSTox Substance ID: DTXSID30149390
• Nikkaji Number: J871.535A
• Wikidata: Q27451311
• Mol file: 110786-00-0.mol

Synonyms:carbobenzoxy-Phe(p)-Leu-Ala;carbobenzoxy-phenylalanyl(p)-leucyl-alanine;ZF(p)LA

Chemical Property of N-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2-Phenylethyl](Hydroxy)phosphoryl]-L-Leucyl-L-Alanine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.32±0.50(Predicted)
• Flash Point: °C
• PSA: 170.85000
• Density: 1.269g/cm³
• LogP: 4.69620
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 519.21343743
• Heavy Atom Count: 36
• Complexity: 767

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

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