| Properties | Image |
| MNX_ID | MNXM1125720 |
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| reference | chebi:163133 |
| formula | C14H19N3O6 |
| global charge | 0 |
| mol weight | 325.321 |
| InChIKey | OQPNSDWGAMFJNU-QWRGUYRKSA-N |
| InChI | InChI=1S/C14H19N3O6/c15-10(7-18)13(21)16-6-12(20)17-11(14(22)23)5-8-1-3-9(19)4-2-8/h1-4,10-11,18-19H,5-7,15H2,(H,16,21)(H,17,20)(H,22,23)/t10-,11-/m0/s1 |
| SMILES | N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N3O6/c15-10(7-18)13(21)16-6-12(20)17-11(14(22)23)5-8-1-3-9(19)4-2-8/h1-4,10-11,18-19H,5-7,15H2,(H,16,21)(H,17,20)(H,22,23)/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:11]([C:14](=[O:22])[OH:23])[N:17]=[C:12]([CH2:6][N:16]=[C:13]([C@H:10]([CH2:7][OH:18])[NH2:15])[OH:21])[OH:20] |
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