Catalog Number:
AG00AA8V
Chemical Name:
Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
CAS Number:
1251004-30-4
Molecular Formula:
C21H31N3O4
Molecular Weight:
389.4885
MDL Number:
MFCD14581300
IUPAC Name:
7-O-benzyl 4-O-tert-butyl (4aS,9aS)-2,3,4a,5,6,8,9,9a-octahydro-1H-pyrazino[2,3-d]azepine-4,7-dicarboxylate
InChI:
InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)24-14-11-22-17-9-12-23(13-10-18(17)24)19(25)27-15-16-7-5-4-6-8-16/h4-8,17-18,22H,9-15H2,1-3H3/t17-,18-/m0/s1
InChI Key:
KNPRWOAPSCCIED-ROUUACIJSA-N
SMILES:
O=C(N1CC[C@H]2[C@H](CC1)N(CCN2)C(=O)OC(C)(C)C)OCc1ccccc1
