Methyl N-{(4s,5s)-5-[(L-Alanyl-L-Alanyl)amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate

Base Information

• Chemical Name: Methyl N-{(4s,5s)-5-[(L-Alanyl-L-Alanyl)amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate
• CAS No.: 126333-28-6
• Molecular Formula: C29H47 N5 O7
• Molecular Weight: 577.7128
• DSSTox Substance ID: DTXSID80155143
• Nikkaji Number: J424.113D
• Wikidata: Q27464562
• Metabolomics Workbench ID: 148660
• ChEMBL ID: CHEMBL49004
• Mol file: 126333-28-6.mol

Synonyms:SKF 107457;SKF-107457

Chemical Property of Methyl N-{(4s,5s)-5-[(L-Alanyl-L-Alanyl)amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate

Chemical Property:

• Vapor Pressure: 1.13E-34mmHg at 25°C
• Boiling Point: 897.8°C at 760 mmHg
• Flash Point: 496.8°C
• Density: 1.154g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 577.34754886
• Heavy Atom Count: 41
• Complexity: 876

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCC(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(C)N)O
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N

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