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Z-ASN(TRT)-OH structure
Z-ASN(TRT)-OH structure

Z-ASN(TRT)-OH

Iupac Name:(2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-(tritylamino)butanoic acid
CAS No.:132388-57-9
Molecular Weight:508.57
1. Names and Identifiers
1.1 Name
Z-ASN(TRT)-OH
1.2 Synonyms

(2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-(tritylamino)butanoic acid CBZ-ASN(TRT)-OH L-Asparagine, N-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)- MFCD00153326 N-.ALPHA.-CBZ-N-.GAMMA.-TRITYL-L-ASPARAGINE N-[(Benzyloxy)carbonyl]-N-trityl-L-asparagine N-ALPHA-CARBOBENZOXY-N-BETA-TRITYL-L-ASPARAGINE N-ALPHA-CBZ-BETA-TRITYL-L-ASPARAGINE N-Carbobenzyloxy-β-trityl-L-asparagine Nα-Cbz-β-trityl-L-asparagine Z-ASPARAGINE(TRT) Z-L-ASPARAGINE (TRITYL) Z-N-GAMMA-TRITYL-L-ASPARAGINE

1.3 CAS No.
132388-57-9
1.4 CID
15138256
1.5 Molecular Formula
C31H28N2O5 (isomer)
1.6 Inchi
InChI=1S/C31H28N2O5/c34-28(21-27(29(35)36)32-30(37)38-22-23-13-5-1-6-14-23)33-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,32,37)(H,33,34)(H,35,36)/t27-/m0/s1
1.7 InChkey
FPVBKISSJULIGI-MHZLTWQESA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)COC(=O)NC(CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
1.9 Isomers Smiles
C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
2. Properties
3.1 Density
1.253
3.1 Boiling point
775.979 °C at 760 mmHg
3.1 Refractive index
1.619
3.1 Flash Point
423.097 °C
3.1 Precise Quality
508.20000
3.1 PSA
104.73000
3.1 logP
5.64620
3.1 Chemical Properties
White to off-white powder Z-ASN(TRT)-OHSupplier
3.2 pKa
3.88±0.10(Predicted)
3.3 StorageTemp
Sealed in dry,2-8°C
4. Precursor and Product
5. Other Information
5.0 Chemical Properties
White to off-white powder
6. Computational chemical data
  • Molecular Weight: 508.57g/mol
  • Molecular Formula:C31H28N2O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:5
  • Exact Mass:508.19982200
  • Monoisotopic Mass:508.19982200
  • Complexity:717
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:105
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
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Z-Asn(Trt)-OH
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Z-Asn(Trt)-OH
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N-α-Z-N-γ-trityl-L-asparagine
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Z-ASN(TRT)-OH
  • Purity:99%Packing: 200kg/bag FOB
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