5-[(3aR,4R,6aS)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]-N-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}pentanamide

CAS: 1835759-81-3

Formula: C27H39N7O6S

SMILES: [H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCOC3=CC=C(C=C3)C3=NN=C(C)N=N3)[C@]1([H])NC(=O)N2

IUPAC: 5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}pentanamide

InChI: InChI=1S/C27H39N7O6S/c1-19-31-33-26(34-32-19)20-6-8-21(9-7-20)40-17-16-39-15-14-38-13-12-37-11-10-28-24(35)5-3-2-4-23-25-22(18-41-23)29-27(36)30-25/h6-9,22-23,25H,2-5,10-18H2,1H3,(H,28,35)(H2,29,30,36)/t22-,23+,25+/m0/s1

Composition: C (54.99%), H (6.67%), N (16.63%), O (16.28%), S (5.44%)

Molar Mass: 589.71

Atom Count: 80

Heavy Atom Count: 41