Catalog Number:
AG009D3F
Chemical Name:
Tert-Butyl(1R,2S,5S)-2-azido-5-[(dimethylamino)carbonyl]cyclohexylcarbamate oxalic acid
CAS Number:
1353893-22-7
Molecular Formula:
C16H27N5O7
Molecular Weight:
401.4149
MDL Number:
MFCD28501698
IUPAC Name:
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid;hydrate
InChI:
InChI=1S/C14H27N3O3.C2H2O4.H2O/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6;/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6);1H2/t9-,10-,11+;;/m0../s1
InChI Key:
ITHHOLNNUWAHNP-MTFBGNCFSA-N
SMILES:
OC(=O)C(=O)O.[N-]=[N+]=N[C@H]1CC[C@@H](C[C@H]1NC(=O)OC(C)(C)C)C(=O)N(C)C
