(1S,3S,4S,5aS,9S,9aR)-N-[3-(Aminocarbonyl)-2,6-dihydroxyphenyl]-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide

CAS Registry Number®

1100821-18-8

CAS Name

(1S,3S,4S,5aS,9S,9aR)-N-[3-(Aminocarbonyl)-2,6-dihydroxyphenyl]-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide

Molecular Formula

C24H28N2O6

Molecular Mass

440.49

Cite this Page

(1S,3S,4S,5aS,9S,9aR)-N-[3-(Aminocarbonyl)-2,6-dihydroxyphenyl]-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1100821-18-8 (retrieved 2024-11-22) (CAS RN: 1100821-18-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28N2O6/c1-22(7-6-17(29)26-18-14(27)4-3-13(19(18)30)21(25)31)16(28)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,27,30H,6-7,9-11H2,1-2H3,(H2,25,31)(H,26,29)/t12-,15+,20+,22-,23+,24+/m1/s1

InChIKey

InChIKey=KUDPXYYGDAJFNU-OFBLZTNGSA-N

SMILES

C(CC(NC1=C(O)C(C(N)=O)=CC=C1O)=O)[C@@]2(C)[C@]3([C@]4(C[C@@]5([C@](C)(C4)O[C@]3(C5)[H])[H])C=CC2=O)[H]

Canonical SMILES

O=C(N)C1=CC=C(O)C(NC(=O)CCC2(C(=O)C=CC34CC5CC(OC5(C)C3)C42)C)=C1O

Other Names for this Substance

  • 3H-1,4:3,5a-Dimethano-2-benzoxepin-9-propanamide, N-[3-(aminocarbonyl)-2,6-dihydroxyphenyl]-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-, (1S,3S,4S,5aS,9S,9aR)-
  • (1S,3S,4S,5aS,9S,9aR)-N-[3-(Aminocarbonyl)-2,6-dihydroxyphenyl]-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide
  • Platensimycin B1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration