N-[3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine

Base Information

• Chemical Name: N-[3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine
• CAS No.: 216097-44-8
• Molecular Formula: C21H27N2O5P
• UNII: 227MQ6QL9D
• Metabolomics Workbench ID: 146672
• Nikkaji Number: J1.314.917H
• Pharos Ligand ID: VJKWJCUT4ZZS
• Wikidata: Q27076350

Synonyms:N-(3-((1-aminoethyl)(hydroxy)phosphoryl)-2-(1,1'-biphenyl-4-ylmethyl)propanoyl)alanine

Chemical Property of N-[3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 418.16575896
• Heavy Atom Count: 29
• Complexity: 600

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Useful:

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

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