| Properties | Image |
MNX_ID | MNXM161610 |
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reference | chebi:73659 |
formula | C12H21N3O8 |
global charge | 0 |
mol weight | 335.313 |
InChIKey | YRJOLUDFVAUXLI-GSSVUCPTSA-N |
InChI | InChI=1S/C12H21N3O8/c1-4(16)8(13)10(20)15-9(5(2)17)11(21)14-6(12(22)23)3-7(18)19/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1 |
SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O |
MNX internals
InChI (mnx) | InChI=1/C12H21N3O8/c1-4(16)8(13)10(20)15-9(5(2)17)11(21)14-6(12(22)23)3-7(18)19/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1 |
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SMILES (mnx) | [CH3:1][C@H:4]([C@@H:8]([C:10](=[N:15][C@@H:9]([C@@H:5]([CH3:2])[OH:17])[C:11](=[N:14][C@@H:6]([CH2:3][C:7](=[O:18])[OH:19])[C:12](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:13])[OH:16] |
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