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ScientificNameLabel
Aurantiamide
PHCD compound ID : 2655
Chemical Names :
Aurantiamide
Molecular Formula : C25H26N2O3
Molecular Weight : 402.194343
More Details :
Names & Synonyms: N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethyl]benzamide , N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide , N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]benzamide , N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]benzamide
Smiles: OC[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
InChi : InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23-/m0/s1
InChi Key : InChIKey=KSVKECXWDNCRTM-GOTSBHOMSA-N
PubChem ID : 185904
Rotatable bond count : 11 Rule of five : 1
Hydrogen bond acceptor count : 5 Ionization potential : 9.496392
Hydrogen bond donor count : 3 Electric dipole moment : 5.526
XLogP : 2.719 VDW volume : 390.549853
Molecular weight : 402.194343 HOMO-LUMO gap : 8.907000
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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