Cas no 91776-47-5 (L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]-)

L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]- structure
91776-47-5 structure
Product Name:L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]-
CAS No:91776-47-5
MF:C18H19NO8S
MW:409.41036438942
CID:804959
PubChem ID:56296
Update Time:2025-04-19

L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]-
    • fibrostatin C
    • N-Acetyl-S-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydro-2-naph thalenyl)methyl]-L-cysteine
    • (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid
    • N-Acetyl-S-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-L-cysteine
    • 91776-47-5
    • (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
    • S-[(1-Hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-N-(1-hydroxyethylidene)cysteine
    • L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-
    • DTXSID20919529
    • N-acetyl-S-((1-hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl)-L-cysteine
    • AKOS040745792
    • CHEBI:221943
    • P 23924C
    • Inchi： 1S/C18H19NO8S/c1-8(20)19-11(18(24)25)7-28-6-10-13(26-2)4-9-15(17(10)23)12(21)5-14(27-3)16(9)22/h4-5,11,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t11-/m0/s1
    • InChI Key： PBMJDDQAEYEYKK-NSHDSACASA-N
    • SMILES： S(C[C@@H](C(=O)O)NC(C)=O)CC1C(=CC2C(C(=CC(C=2C=1O)=O)OC)=O)OC

Computed Properties

  • Exact Mass: 409.083137
  • Monoisotopic Mass: 409.083137
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 679
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 165
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.48
  • Boiling Point: 796.6°Cat760mmHg
  • Flash Point: 435.6°C
  • Refractive Index: 1.633

L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]- Related Literature

Related Categories

91776-47-5 (L-Cysteine,N-acetyl-S-[(5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl]-) Related Products

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