Catalog Number:
AG00HHWZ
Chemical Name:
Racemic-(2R,3aS,7aR)-1-benzyl 5-tert-butyl 2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(6H)-dicarboxylate
CAS Number:
1250993-22-6
Molecular Formula:
C21H30N2O5
Molecular Weight:
390.4733
MDL Number:
MFCD18791921
IUPAC Name:
1-O-benzyl 5-O-tert-butyl (2R,3aS,7aR)-2-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C21H30N2O5/c1-21(2,3)28-19(25)22-10-9-18-16(12-22)11-17(13-24)23(18)20(26)27-14-15-7-5-4-6-8-15/h4-8,16-18,24H,9-14H2,1-3H3/t16-,17+,18+/m0/s1
InChI Key:
IRIHPXWSQWONCW-RCCFBDPRSA-N
SMILES:
OC[C@H]1C[C@@H]2[C@H](N1C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
