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ScientificNameLabel
Aurantiamide acetate
PHCD compound ID : 2656
Chemical Names :
Aurantiamide acetate
Molecular Formula : C27H28N2O4
Molecular Weight : 444.204907
More Details :
Names & Synonyms: [(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-phenyl-propyl] acetate , acetic acid [(2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-phenylpropyl] ester , [(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate , [(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-phenyl-propyl] ethanoate , acetic acid [(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-phenyl-propyl] ester
Smiles: CC(=O)OC[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
InChi : InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25-/m0/s1
InChi Key : InChIKey=VZPAURMDJZOGHU-DQEYMECFSA-N
PubChem ID : 10026486
Rotatable bond count : 13 Rule of five : 1
Hydrogen bond acceptor count : 6 Ionization potential : 9.319370
Hydrogen bond donor count : 2 Electric dipole moment : 1.023
XLogP : 3.459 VDW volume : 431.29559
Molecular weight : 444.204907 HOMO-LUMO gap : 8.996000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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