Cas no 140626-94-4 (Matlystatin A)

Matlystatin A structure
Matlystatin A structure
Product Name:Matlystatin A
CAS No:140626-94-4
MF:C27H47N5O8S
MW:601.755786180496
CID:903153
PubChem ID:132294
Update Time:2024-03-01

Matlystatin A Chemical and Physical Properties

Names and Identifiers

    • matlystatin A
    • L-Cysteine, N-acetyl-S-(4-(((hexahydro-2-(2-(2-(hydroxyamino)-2-oxoethyl)-1-oxoheptyl)-3-pyridazinyl)carbonyl)amino)-5-methyl-3-oxoheptyl)-
    • N-Acetyl-S-(4-(((hexahydro-2-(2-(2-(hydroxyamino)-2-oxoethyl)-1-oxoheptyl)-3-pyridazinyl)carbonyl)amino)-5-methyl-3-oxoheptyl)-L-cysteine
    • N-acetyl-S-(4-{[(2-{2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}hexahydropyridazin-3-yl)carbonyl]amino}-5-methyl-3-oxoheptyl)-L-cysteine
    • N-(1-Hydroxyethylidene)-S-(4-{[hydroxy(2-{2-[2-hydroxy-2-(hydroxyimino)ethyl]heptanoyl}-1,2-diazinan-3-yl)methylidene]amino}-5-methyl-3-oxoheptyl)cysteine
    • (2R)-2-acetamido-3-[4-[[2-[2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid
    • DTXSID10930889
    • N-acetyl-S-(4-(2-(2-(2-(hydroxyamino)-2-oxoethyl)heptanoyl)hexahydropyridazine-3-carboxamido)-5-methyl-3-oxoheptyl)-L-cysteine
    • 140626-94-4
    • Matlystatin A
    • Inchi: 1S/C27H47N5O8S/c1-5-7-8-10-19(15-23(35)31-40)26(37)32-21(11-9-13-28-32)25(36)30-24(17(3)6-2)22(34)12-14-41-16-20(27(38)39)29-18(4)33/h17,19-21,24,28,40H,5-16H2,1-4H3,(H,29,33)(H,30,36)(H,31,35)(H,38,39)/t17?,19?,20-,21?,24?/m0/s1
    • InChI Key: FKOLSKSZEQBBHL-IKXKWNMQSA-N
    • SMILES: S(C[C@@H](C(=O)O)NC(C)=O)CCC(C(C(C)CC)NC(C1CCCNN1C(C(CC(NO)=O)CCCCC)=O)=O)=O

Computed Properties

  • Exact Mass: 601.31453465g/mol
  • Monoisotopic Mass: 601.31453465g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 19
  • Complexity: 905
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 220
  • XLogP3: -0.7
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