| Properties | Image |
| MNX_ID | MNXM1126501 |
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| reference | chebi:163916 |
| formula | C15H19N3O6 |
| global charge | 0 |
| mol weight | 337.332 |
| InChIKey | GAFKBWKVXNERFA-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H19N3O6/c16-8-12(19)17-10(6-9-4-2-1-3-5-9)14(22)18-11(15(23)24)7-13(20)21/h1-5,10-11H,6-8,16H2,(H,17,19)(H,18,22)(H,20,21)(H,23,24)/t10-,11-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H19N3O6/c16-8-12(19)17-10(6-9-4-2-1-3-5-9)14(22)18-11(15(23)24)7-13(20)21/h1-5,10-11H,6-8,16H2,(H,17,19)(H,18,22)(H,20,21)(H,23,24)/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:13](=[O:20])[OH:21])[C:15](=[O:23])[OH:24])[OH:22])[N:17]=[C:12]([CH2:8][NH2:16])[OH:19])[CH:5]=[CH:3]1 |
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