N-(20-amino-3,6,9,12,15,18-hexaoxaicosan-1-yl)-4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamide

CAS: 2353409-98-8

Formula: C33H45N3O8

SMILES: NCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC2=CC=CC=C12

IUPAC: N-(20-amino-3,6,9,12,15,18-hexaoxaicosan-1-yl)-4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamide

InChI: InChI=1S/C33H45N3O8/c34-13-15-39-17-19-41-21-23-43-25-26-44-24-22-42-20-18-40-16-14-35-32(37)11-12-33(38)36-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)36/h1-8H,11-27,34H2,(H,35,37)

Composition: C (64.79%), H (7.41%), N (6.87%), O (20.92%)

Molar Mass: 611.736

Atom Count: 89

Heavy Atom Count: 44