| Properties | Image |
MNX_ID | MNXM161422 |
 |
reference | keggD:D02284 |
formula | C13H25N4O3Tc |
global charge | 0 |
mol weight | 383.368 |
InChIKey | ZLRVWFDVJWKAIL-NPOMUUQISA-M |
InChI | InChI=1S/C13H26N4O2.O.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;;/h9-10,18-19H,7-8H2,1-6H3;;/q-2;;+3/p-1/b16-11+,17-12+;;/t9-,10-;;/m1../s1 |
SMILES | C/C(=N\[O-])[C@@H](C)[N-]CC(C)(C)C[N-][C@H](C)/C(C)=N/O.O=[Tc+3] |
MNX internals
InChI (mnx) | InChI=1/C13H26N4O2.O.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;;/h9-10,18-19H,7-8H2,1-6H3;;/q-2;;+3/b16-11+,17-12+;;/t9-,10-;;/m1../s1 |
 |
SMILES (mnx) | [CH3:1][C@H:9](/[C:11]([CH3:3])=[N:16]/[OH:18])[N-:14][CH2:7][C:13]([CH3:5])([CH3:6])[CH2:8][N-:15][C@H:10]([CH3:2])/[C:12]([CH3:4])=[N:17]/[OH:19].[O:20].[Tc+3:21] |
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