| Properties | Image |
| MNX_ID | MNXM1123966 |
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| reference | chebi:161368 |
| formula | C15H19N3O6 |
| global charge | 0 |
| mol weight | 337.332 |
| InChIKey | CSYVXYQDIVCQNU-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H19N3O6/c16-10(6-9-4-2-1-3-5-9)14(23)18-11(7-12(19)20)15(24)17-8-13(21)22/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](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H19N3O6/c16-10(6-9-4-2-1-3-5-9)14(23)18-11(7-12(19)20)15(24)17-8-13(21)22/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:10]([C:14](=[N:18][C@@H:11]([CH2:7][C:12](=[O:19])[OH:20])[C:15](=[N:17][CH2:8][C:13](=[O:21])[OH:22])[OH:24])[OH:23])[NH2:16])[CH:5]=[CH:3]1 |
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