Cas no 160433-47-6 (Bacithrocin A 1)

Bacithrocin A 1 structure
Bacithrocin A 1 structure
Product Name:Bacithrocin A 1
CAS No:160433-47-6
MF:C20H31N5O3
MW:389.491844415665
CID:6766256
Update Time:2024-03-03

Bacithrocin A 1 Chemical and Physical Properties

Names and Identifiers

    • Bacithrocin A
    • Bacithrocin A 2
    • Bacithrocin A 1
    • Inchi: 1S/C20H31N5O3/c1-14(2)11-18(27)25-17(12-15-7-4-3-5-8-15)19(28)24-16(13-26)9-6-10-23-20(21)22/h3-5,7-8,13-14,16-17H,6,9-12H2,1-2H3,(H,24,28)(H,25,27)(H4,21,22,23)/t16?,17-/m0/s1
    • InChI Key: JDLOASBKUAQMFJ-DJNXLDHESA-N
    • SMILES: CC(CC(N[C@H](C(NC(C=O)CCCNC(=N)N)=O)CC1C=CC=CC=1)=O)C

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • XLogP3: 2.209
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