α-(Methylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide

CAS Registry Number®

53947-95-8

CAS Name

α-(Methylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide

Molecular Formula

C36H49N5O6

Molecular Mass

647.80

Cite this Page

α-(Methylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53947-95-8 (retrieved 2025-02-19) (CAS RN: 53947-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)

InChIKey

InChIKey=BZZQDUJJXJCFBF-UHFFFAOYSA-N

SMILES

C(C(NC(C(CC1=CC=CC=C1)NC)=O)CC(C)C)(=O)N2C3C(OC=4C=C(C(OC)=CC4)C=CNC(=O)C(C(CC)C)NC3=O)CC2

Canonical SMILES

O=C1NC=CC=2C=C(OC3CCN(C(=O)C(NC(=O)C(NC)CC=4C=CC=CC4)CC(C)C)C3C(=O)NC1C(C)CC)C=CC2OC

Other Names for this Substance

  • Benzenepropanamide, α-(methylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-
  • 5,9-Metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecine, benzenepropanamide deriv.
  • α-(Methylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
  • Nummularine A

CAS INSIGHTSTM
Lithium-ion battery