2,5-dioxopyrrolidin-1-yl 2-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethoxy)acetate

CAS: 2249926-63-2

Formula: C31H33N3O9

SMILES: O=C(CCC(=O)N1CC2=C(C=CC=C2)C#CC2=C1C=CC=C2)NCCOCCOCCOCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 2-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethoxy)acetate

InChI: InChI=1S/C31H33N3O9/c35-27(32-15-16-40-17-18-41-19-20-42-22-31(39)43-34-29(37)13-14-30(34)38)11-12-28(36)33-21-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)33/h1-8H,11-22H2,(H,32,35)

Composition: C (62.94%), H (5.62%), N (7.10%), O (24.34%)

Molar Mass: 591.617

Atom Count: 76

Heavy Atom Count: 43