Cas no 59926-78-2 (Malformin C)

Malformin C structure
Malformin C structure
Product Name:Malformin C
CAS No:59926-78-2
MF:C23H39N5O5S2
MW:529.716263055801
CID:375466
PubChem ID:21635794
Update Time:2025-04-19

Malformin C Chemical and Physical Properties

Names and Identifiers

    • Malformin C
    • maloformin B1b
    • Cyclo(D-cysteinyl-D-cysteinyl-L-valyl-D-leucyl-L-leucyl),cyclic (1&reg
    • Malformin B1b
    • 59926-78-2
    • CHEBI:227459
    • CS-0106853
    • BRN 4896114
    • Malformin A, 5-L-leucine
    • CHEMBL599936
    • HY-P2005
    • MALFORMINC
    • AKOS040755548
    • UNII-5L7KT171K3
    • (1S,4S,7R,10S,13S)-7,10-diisobutyl-4-isopropyl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone
    • GNF-Pf-3267
    • (1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
    • CYCLO(D-CYSTEINYL-D-CYSTEINYL-L-VALYL-D-LEUCYL-L-LEUCYL), CYCLIC (1->2)-DISULFIDE
    • DTXSID40894006
    • 5L7KT171K3
    • DTXCID601324049
    • DA-55201
    • (1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo(11.4.2)nonadecane-3,6,9,12,18-pentone
    • Inchi: 1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1
    • InChI Key: TZODYIWCRGWHQB-TZNCUMHOSA-N
    • SMILES: S1C[C@@H]2C(N[C@H](CS1)C(N[C@H](C(N[C@@H](C(N[C@H](C(N2)=O)CC(C)C)=O)CC(C)C)=O)C(C)C)=O)=O

Computed Properties

  • Exact Mass: 529.23957
  • Monoisotopic Mass: 529.239261
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 15
  • Complexity: 818
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 80
  • XLogP3: 2.4
  • Topological Polar Surface Area: 193

Experimental Properties

  • Density: 1.118±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: >300 oC
  • Refractive Index: 1.541
  • Solubility: Almost insoluble (0.015 g/l) (25 o C),
  • PSA: 159.49

Malformin C Pricemore >>

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