Analyte Name

rac-tert-Butyl (R,E)-3-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acrylamido)-3-(5-(4-((methoxycarbonyl)amino)phenyl)-6-oxo-1,6-dihydropyridazin-3-yl)propanoate

CAS Number

1187647-57-9

Molecular Formula

C29 H29 Cl N8 O6

Molecular Weight

621.044

Accurate Mass

620.19

SMILES

COC(=O)Nc1ccc(cc1)C2=CC(=NNC2=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)\C=C\c3cc(Cl)ccc3n4cnnn4

InChI

InChI=1S/C29H29ClN8O6/c1-29(2,3)44-26(40)15-22(33-25(39)12-7-18-13-19(30)8-11-24(18)38-16-31-36-37-38)23-14-21(27(41)35-34-23)17-5-9-20(10-6-17)32-28(42)43-4/h5-14,16,22H,15H2,1-4H3,(H,32,42)(H,33,39)(H,35,41)/b12-7+/t22-/m0/s1

IUPAC

tert-butyl (3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-[5-[4-(methoxycarbonylamino)phenyl]-6-oxo-1H-pyridazin-3-yl]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat