| Properties | Image |
MNX_ID | MNXM13027 |
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reference | metacycM:THF-GLU-N |
formula | C19H21N7O5* |
global charge | -1 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]C(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(N2)C(=O)NC(N)=N3)C=C1)C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C20H25N7O5/c1-10(28)2-7-14(19(31)32)25-17(29)11-3-5-12(6-4-11)22-8-13-9-23-16-15(24-13)18(30)27-20(21)26-16/h3-6,13-14,22,24H,2,7-9H2,1H3,(H,25,29)(H,31,32)(H4,21,23,26,27,30)/t13-,14-/m0/s1/i1+1 |
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SMILES (mnx) | [13CH3:1][C:10]([CH2:2][CH2:7][C@@H:14]([C:19](=[O:31])[OH:32])[NH:25][C:17]([C:11]1=[CH:4][CH:6]=[C:12]([NH:22][CH2:8][C@H:13]2[CH2:9][NH:23][C:16]3=[C:15]([C:18]([OH:30])=[N:27][C:20](=[NH:21])[NH:26]3)[NH:24]2)[CH:5]=[CH:3]1)=[O:29])=[O:28] |
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