N-{1-[3-(3-carbamimidamidopropyl)-1-[3-ethenyl-2-(hepta-1,3,5-trien-4-yl)hepta-3,5-dien-1-yl]-2-oxo-1,4-diazepan-5-yl]-2-(naphthalen-2-yl)ethyl}acetamide

CAS: 8007-47-4

Formula: C39H52N6O2

SMILES: CC=CC=C(C=C)C(CN1CCC(NC(CCCNC(N)=N)C1=O)C(CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(C=CC)=CC=C

IUPAC: N-{1-[3-(3-carbamimidamidopropyl)-1-[3-ethenyl-2-(hepta-1,3,5-trien-4-yl)hepta-3,5-dien-1-yl]-2-oxo-1,4-diazepan-5-yl]-2-(naphthalen-2-yl)ethyl}acetamide

InChI: InChI=1/C39H52N6O2/c1-6-10-16-30(9-4)34(32(14-7-2)15-8-3)27-45-24-22-35(44-36(38(45)47)19-13-23-42-39(40)41)37(43-28(5)46)26-29-20-21-31-17-11-12-18-33(31)25-29/h6-12,14-18,20-21,25,34-37,44H,2,4,13,19,22-24,26-27H2,1,3,5H3,(H,43,46)(H4,40,41,42)

Composition: C (73.55%), H (8.23%), N (13.20%), O (5.02%)

Molar Mass: 636.885

Atom Count: 99

Heavy Atom Count: 47