AXF

(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE


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Chemical Component Summary

Name(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE
Identifiers(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(1S,4E,9R,12S,15S)-12-methyl-11,14-dioxo-2,7-dithia-10,13,16-triazabicyclo[13.4.0]nonadec-4-en-9-yl]butanamide
FormulaC24 H42 N4 O4 S2
Molecular Weight514.745
TypeNON-POLYMER
Isomeric SMILESCCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O
InChIInChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1
InChIKeyFIWCVIADXWJIGF-NFXSCPKSSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count6
Bond Count77
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL210240
PubChem 9547929
ChEMBL CHEMBL210240