| Properties | Image |
| MNX_ID | MNXM1123401 |
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| reference | chebi:160802 |
| formula | C15H19N3O6 |
| global charge | 0 |
| mol weight | 337.332 |
| InChIKey | QJHOOKBAHRJPPX-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H19N3O6/c16-10(7-12(19)20)14(23)18-11(15(24)17-8-13(21)22)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,16H2,(H,17,24)(H,18,23)(H,19,20)(H,21,22)/t10-,11-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H19N3O6/c16-10(7-12(19)20)14(23)18-11(15(24)17-8-13(21)22)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,16H2,(H,17,24)(H,18,23)(H,19,20)(H,21,22)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:11]([C:15](=[N:17][CH2:8][C:13](=[O:21])[OH:22])[OH:24])[N:18]=[C:14]([C@H:10]([CH2:7][C:12](=[O:19])[OH:20])[NH2:16])[OH:23])[CH:5]=[CH:3]1 |
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