Cas no 121807-03-2 (L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI))

L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI) structure
121807-03-2 structure
Product Name:L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI)
CAS No:121807-03-2
MF:C36H50N6O12S
MW:790.880208492279
CID:141462
PubChem ID:195346
Update Time:2025-04-19

L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI)
    • L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,tran...
    • (2S,4R)-N-{(2S)-2-[({[(2R)-2-{[(2S)-2-amino-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)propanoyl]amino}-4-(methylsu
    • O(1,5)-Glucopyranosyl-tyr-met-gly-phe-hyp-amide
    • N-[N-(2-{[2-({2-Amino-3-[4-(hexopyranosyloxy)phenyl]-1-hydroxypropylidene}amino)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1-hydroxyethylidene)phenylalanyl]-4-hydroxypyrrolidine-2-carboximidic acid
    • Enkephalinamide, met(2)-hyp(5)glucopyranosyl-
    • 2-Met-5-hyp-glucopyranosyl-enkephalin
    • (2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxamide
    • 121807-03-2
    • O(1,5)-Glucopyranosyl-met(2)-hyp(5)enkephalinamide
    • Hyp-glu-enkephalinamide
    • DTXSID00923967
    • Enkephalinamide,methionyl(2)-hydroxyprolylglucopyranosyl(5)-
    • Inchi： 1S/C36H50N6O12S/c1-55-12-11-24(41-32(49)23(37)13-20-7-9-22(10-8-20)53-36-31(48)30(47)29(46)27(18-43)54-36)33(50)39-17-28(45)40-26(14-19-5-3-2-4-6-19)35(52)42-34(51)25-15-21(44)16-38-25/h2-10,21,23-27,29-31,36,38,43-44,46-48H,11-18,37H2,1H3,(H,39,50)(H,40,45)(H,41,49)(H,42,51,52)/t21-,23+,24-,25+,26+,27-,29-,30+,31-,36-/m1/s1
    • InChI Key： FMUXKLQGGYTHKR-RJGUPLRSSA-N
    • SMILES： S(C)CC[C@H](C(NCC(N[C@@H](CC1C=CC=CC=1)C(NC([C@@H]1C[C@H](CN1)O)=O)=O)=O)=O)NC([C@H](CC1C=CC(=CC=1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)N)=O

Computed Properties

  • Exact Mass: 790.321
  • Monoisotopic Mass: 790.32074223g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 18
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 316?2

Experimental Properties

  • PSA: 291.13

L-Prolinamide, O-b-D-glucopyranosyl-L-tyrosyl-D-methionylglycyl-L-phenylalanyl-4-hydroxy-,trans- (9CI) Related Literature

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