| Properties | Image |
| MNX_ID | MNXM1126815 |
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| reference | chebi:164231 |
| formula | C16H23N3O6 |
| global charge | 0 |
| mol weight | 353.375 |
| InChIKey | WKGAAMOJPMBBMC-IXOXFDKPSA-N |
| InChI | InChI=1S/C16H23N3O6/c1-9(21)13(17)15(23)19-12(8-20)14(22)18-11(16(24)25)7-10-5-3-2-4-6-10/h2-6,9,11-13,20-21H,7-8,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t9-,11+,12+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O6/c1-9(21)13(17)15(23)19-12(8-20)14(22)18-11(16(24)25)7-10-5-3-2-4-6-10/h2-6,9,11-13,20-21H,7-8,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t9-,11+,12+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:13]([C:15](=[N:19][C@@H:12]([CH2:8][OH:20])[C:14](=[N:18][C@@H:11]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:16](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:17])[OH:21] |
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