largazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 50
Total Number of Articles : 31
PubChem 24757913
Molecular Formula

C29H42N4O5S3

SMILES

CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCC2=NC(=CS2)C3=N[C@@](CS3)(C(=O)N[C@H](C(=O)O1)C(C)C)C

InChI

InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1

synonyms
  • LARGAZOLE
  • 1009815-87-5
  • S-[(E)-4-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-trien-11-yl]but-3-enyl] octanethioate
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Properties
Property Value
MW 622.9 g/mol
HBD 2
HBA 10
Rotatable Bond Count 12
Exact Mass 622.23173397 g/mol
Monoisotopic Mass 622.23173397 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 991
xlogp 5.5
Topological Polar Surface Area 206