Cas no 56121-42-7 (Aurantiamide acetate)

Aurantiamide acetate structure
Aurantiamide acetate structure
Product Name:Aurantiamide acetate
CAS No:56121-42-7
MF:C27H28N2O4
MW:444.522227287292
CID:367959
PubChem ID:10026486
Update Time:2025-04-19

Aurantiamide acetate Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanamide,N-[(1S)-1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)-, (aS)-
    • ASPERGLAUCIDE
    • aurantiamide acetate
    • benzenepropanamide, N-[(1S)-2-(acetyloxy)-1-(phenylmethyl)ethyl]-alpha-(benzoylamino)-, (alphaS)-
    • C27H28N2O4
    • 5651AE
    • W1051
    • N-benzoyl-l-phenylalanyl-l-phenylalaninol acetate
    • Benzenepropanamide, N-[(1S)-1-[(acetyloxy)methyl]-2-phenylethyl]-alpha-(benzoylamino)-, (alphaS)-
    • CHEMBL4071910
    • AKOS040760046
    • MS-28013
    • N-Benzoylphenylalanylphenylalinol acetate
    • O-Acetyl-N-(N'-benzoyl-L-phenylalanyl)-L-phenylalaninol
    • 2Z6NA534YE
    • CHEBI:202607
    • HY-N2905
    • 56121-42-7
    • TMC-58A
    • CS-0023500
    • (S)-2-((S)-2-Benzamido-3-phenylpropanamido)-3-phenylpropyl acetate
    • SCHEMBL4357298
    • Tifentai
    • O-Acetyl-N-(N'-benzoyl-L-phenylalanyl)-L-phenylalaninol; Sarapeptate; Saropeptate
    • [(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
    • [(2S)-2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
    • 6.N-Benzoylphenylalanylphenylalinol acetate
    • N-Benzoyl-L-phenylalanyl-L-phenylalinol acetate
    • NS00094928
    • DTXSID00893272
    • N-Benzoyl-1-phenylalanyl-1-phenylalaninol acetate
    • Asperglaucide, Lyciumamide
    • UNII-2Z6NA534YE
    • CHEBI:194125
    • E80628
    • Lyciumamide
    • N-Benzoyl-phe-phe-ol-acetate
    • AKOS032948548
    • CHEMBL473971
    • BRD-A36949354-001-01-3
    • BS-1538
    • ACon1_001149
    • NCGC00169629-02
    • Asperglaucide; Asperglucide; Aurantiamide acetate; Lyciumamide
    • 2-(2-benzamido-3-phenylpropanamido)-3-phenylpropyl acetate
    • NCGC00169629-02_C27H28N2O4_Benzenepropanamide, N-[2-(acetyloxy)-1-(phenylmethyl)ethyl]-alpha-(benzoylamino)-
    • (+)-pinoresinol-4-O-beta-D-glucopyranoside
    • MEGxp0_000179
    • aurantiamide-acetate
    • NCGC00169629-01
    • DA-61320
    • (2S)-3-PHENYL-2-[(2S)-3-PHENYL-2-(PHENYLFORMAMIDO)PROPANAMIDO]PROPYL ACETATE
    • Aurantiamide acetate
    • 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: VZPAURMDJZOGHU-DQEYMECFSA-N
    • SMILES: O(C(C)=O)C[C@H](CC1C=CC=CC=1)NC([C@H](CC1C=CC=CC=1)NC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 444.20500
  • Monoisotopic Mass: 444.20490738 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 11
  • Complexity: 620
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.5
  • Molecular Weight: 444.5
  • XLogP3: 4.4

Experimental Properties

  • Color/Form: Powder
  • PSA: 84.50000
  • LogP: 4.10010

Aurantiamide acetate Pricemore >>

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