| Properties | Image |
| MNX_ID | MNXM1126698 |
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| reference | chebi:164113 |
| formula | C15H19N3O7 |
| global charge | 0 |
| mol weight | 353.331 |
| InChIKey | GNNJKUYDWFIBTK-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H19N3O7/c16-7-12(20)17-10(5-8-1-3-9(19)4-2-8)14(23)18-11(15(24)25)6-13(21)22/h1-4,10-11,19H,5-7,16H2,(H,17,20)(H,18,23)(H,21,22)(H,24,25)/t10-,11-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H19N3O7/c16-7-12(20)17-10(5-8-1-3-9(19)4-2-8)14(23)18-11(15(24)25)6-13(21)22/h1-4,10-11,19H,5-7,16H2,(H,17,20)(H,18,23)(H,21,22)(H,24,25)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:19])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:10]([C:14](=[N:18][C@@H:11]([CH2:6][C:13](=[O:21])[OH:22])[C:15](=[O:24])[OH:25])[OH:23])[N:17]=[C:12]([CH2:7][NH2:16])[OH:20] |
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