Cas no 133705-25-6 (4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)-)

4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)- structure
133705-25-6 structure
Product Name:4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)-
CAS No:133705-25-6
MF:C38H48N4O13
MW:768.80673122406
CID:173683
PubChem ID:6450109
Update Time:2025-04-19

4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)- Chemical and Physical Properties

Names and Identifiers

    • 4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)-
    • (2S)-2-[[3-carboxy-5-[[(2S)-2-carboxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]-3-hydroxy-5-oxopentanoyl]amino]-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methylhexanoic acid
    • 4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,...
    • 4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,1
    • Nannochelin A
    • (1E,9S,17S,24E)-4,13,22-trihydroxy-9,17-dimethyl-3,11,15,23-tetraoxo-1,25-diphenyl-4,10,16,22-tetraazapentacosa-1,24-diene-9,13,17-tricarboxylic acid (non-preferred name)
    • L-Lysine, N2,N2'-(3-carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediyl)bis(N6-hydroxy-N6-(1-oxo-3-phenyl-2-propenyl)-, 1,1'-dimethyl ester
    • 133705-25-6
    • Inchi： 1S/C38H48N4O13/c1-36(33(47)48,21-9-11-23-41(54)31(45)19-17-27-13-5-3-6-14-27)39-29(43)25-38(53,35(51)52)26-30(44)40-37(2,34(49)50)22-10-12-24-42(55)32(46)20-18-28-15-7-4-8-16-28/h3-8,13-20,53-55H,9-12,21-26H2,1-2H3,(H,39,43)(H,40,44)(H,47,48)(H,49,50)(H,51,52)/b19-17+,20-18+/t36-,37-/m0/s1
    • InChI Key： SEEWYYARMQQXKZ-LBKUAQJLSA-N
    • SMILES： OC(C(=O)O)(CC(N[C@@](C(=O)O)(C)CCCCN(C(/C=C/C1C=CC=CC=1)=O)O)=O)CC(N[C@@](C(=O)O)(C)CCCCN(C(/C=C/C1C=CC=CC=1)=O)O)=O

Computed Properties

  • Exact Mass: 768.32194
  • Monoisotopic Mass: 768.321788
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 23
  • Complexity: 1310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 271
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.373
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.628
  • PSA: 271.41

4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)- Related Literature

Related Categories

133705-25-6 (4,10,16,22-Tetraazapentacosa-1,24-diene-9,13,17-tricarboxylicacid, 4,13,22-trihydroxy-3,11,15,23-tetraoxo-1,25-diphenyl-, 9,17-dimethylester, (1E,9S,17S,24E)-) Related Products

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