Cas no 51827-01-1 (Xenopsin)

Xenopsin structure
Xenopsin structure
Product Name:Xenopsin
CAS No:51827-01-1
MF:C47H73N13O10
MW:980.163630247116
CID:367658
PubChem ID:11766461
Update Time:2025-04-19

Xenopsin Chemical and Physical Properties

Names and Identifiers

    • L-Leucine,5-oxo-L-prolylglycyl-L-lysyl-L-arginyl-L-prolyl-L-tryptophyl-L-isoleucyl-
    • Xenopsin
    • PYR-GLY-LYS-ARG-PRO-TRP-ILE-LEU
    • Xenopsin (XP)
    • {pGLU}GKRPWIL
    • GLP-GLY-LYS-ARG-PRO-TRP-ILE-LEU
    • PGLU-GLY-LYS-ARG-PRO-TRP-ILE-LEU
    • pGlu-Gly-Lys-Arg-Pro-Trp-Ile-Leu-OH
    • PYR-GLY-LYS-ARG-PRO-TRP-ILE-LEU-OH
    • PYROGLU-GLY-LYS-ARG-PRO-TRP-ILE-LEU
    • 5-Oxo-L-prolylglycyl-L-lysyl-L-arginyl-L-prolyl-L-tryptophyl-L-isoleucyl-L-leucine
    • 51827-01-1
    • VVZLRNZUCNGJQY-KITDWFFGSA-N
    • HY-P0253
    • MFCD00076291
    • (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
    • DA-59183
    • MDL: MFCD00076291
    • Inchi: 1S/C47H73N13O10/c1-5-27(4)39(44(67)58-35(46(69)70)22-26(2)3)59-42(65)34(23-28-24-52-30-13-7-6-12-29(28)30)57-43(66)36-16-11-21-60(36)45(68)33(15-10-20-51-47(49)50)56-41(64)31(14-8-9-19-48)55-38(62)25-53-40(63)32-17-18-37(61)54-32/h6-7,12-13,24,26-27,31-36,39,52H,5,8-11,14-23,25,48H2,1-4H3,(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,67)(H,59,65)(H,69,70)(H4,49,50,51)/t27-,31-,32-,33-,34-,35-,36-,39-/m0/s1
    • InChI Key: VVZLRNZUCNGJQY-KITDWFFGSA-N
    • SMILES: O=C([C@H](CCC/N=C(\N)/N)NC([C@H](CCCCN)NC(CNC([C@@H]1CCC(N1)=O)=O)=O)=O)N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC(C)C)=O)[C@@H](C)CC)=O)CC1=CNC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 979.56000
  • Monoisotopic Mass: 979.56033558g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 70
  • Rotatable Bond Count: 36
  • Complexity: 1860
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 368?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.43±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • Solubility: Slightly soluble (5.2 g/l) (25 o C),
  • PSA: 365.02000
  • LogP: 3.59260

Xenopsin Pricemore >>

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