Catalog Number:
AG0085FM
Chemical Name:
Quinapril Diketopiperazine
CAS Number:
103733-49-9
Molecular Formula:
C25H28N2O4
Molecular Weight:
420.5008
MDL Number:
MFCD18252326
IUPAC Name:
ethyl (2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
InChI:
InChI=1S/C25H28N2O4/c1-3-31-25(30)21(14-13-18-9-5-4-6-10-18)27-17(2)23(28)26-16-20-12-8-7-11-19(20)15-22(26)24(27)29/h4-12,17,21-22H,3,13-16H2,1-2H3/t17-,21-,22-/m0/s1
InChI Key:
NDDYKENLGBOEPD-HSQYWUDLSA-N
SMILES:
CCOC(=O)[C@@H](N1[C@@H](C)C(=O)N2[C@H](C1=O)Cc1c(C2)cccc1)CCc1ccccc1
UNII:
482564RI35
