| Properties | Image |
| MNX_ID | MNXM1127945 |
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| reference | chebi:165982 |
| formula | C15H21N3O6 |
| global charge | 0 |
| mol weight | 339.348 |
| InChIKey | ZZDYJFVIKVSUFA-WLTAIBSBSA-N |
| InChI | InChI=1S/C15H21N3O6/c1-8(19)13(15(24)17-7-12(21)22)18-14(23)11(16)6-9-2-4-10(20)5-3-9/h2-5,8,11,13,19-20H,6-7,16H2,1H3,(H,17,24)(H,18,23)(H,21,22)/t8-,11+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O6/c1-8(19)13(15(24)17-7-12(21)22)18-14(23)11(16)6-9-2-4-10(20)5-3-9/h2-5,8,11,13,19-20H,6-7,16H2,1H3,(H,17,24)(H,18,23)(H,21,22)/t8-,11+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:13]([C:15](=[N:17][CH2:7][C:12](=[O:21])[OH:22])[OH:24])[N:18]=[C:14]([C@H:11]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:20])[CH:4]=[CH:2]1)[NH2:16])[OH:23])[OH:19] |
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