| Properties | Image |
| MNX_ID | MNXM1126106 |
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| reference | chebi:163520 |
| formula | C15H20N4O6 |
| global charge | 0 |
| mol weight | 352.347 |
| InChIKey | LURCIJSJAKFCRO-QWRGUYRKSA-N |
| InChI | InChI=1S/C15H20N4O6/c16-7-13(22)18-10(6-12(17)21)14(23)19-11(15(24)25)5-8-1-3-9(20)4-2-8/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t10-,11-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H20N4O6/c16-7-13(22)18-10(6-12(17)21)14(23)19-11(15(24)25)5-8-1-3-9(20)4-2-8/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:20])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:11]([C:15](=[O:24])[OH:25])[N:19]=[C:14]([C@H:10]([CH2:6][C:12](=[NH:17])[OH:21])[N:18]=[C:13]([CH2:7][NH2:16])[OH:22])[OH:23] |
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