2-[[(2S)-1-[carboxymethyl-[(2S)-5-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid

Base Information

• Chemical Name: 2-[[(2S)-1-[carboxymethyl-[(2S)-5-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
• CAS No.: 100699-44-3
• Molecular Formula: C24H28 N2 O6
• Molecular Weight: 440.4889
• DSSTox Substance ID: DTXSID50905672
• Mol file: 100699-44-3.mol

Synonyms:100699-44-3;DTXSID50905672;N-(1-Carboxy-3-phenylpropyl)alanyl-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)glycine

Chemical Property of 2-[[(2S)-1-[carboxymethyl-[(2S)-5-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 1.56E-21mmHg at 25°C
• Boiling Point: 716.3°C at 760 mmHg
• Flash Point: 387°C
• Density: 1.35g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 440.19473662
• Heavy Atom Count: 32
• Complexity: 665

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N(CC(=O)O)C1CC2=C(C1)C=C(C=C2)O)NC(CCC3=CC=CC=C3)C(=O)O
• Isomeric SMILES: C[C@@H](C(=O)N(CC(=O)O)[C@H]1CC2=C(C1)C=C(C=C2)O)NC(CCC3=CC=CC=C3)C(=O)O