| Properties | Image |
| MNX_ID | MNXM729977 |
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| reference | chebi:74714 |
| formula | C13H17N3O4 |
| global charge | 0 |
| mol weight | 279.296 |
| InChIKey | NAXPHWZXEXNDIW-JTQLQIEISA-N |
| InChI | InChI=1S/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/t10-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/t10-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:10]([C:13](=[N:16][CH2:7][C:11](=[N:15][CH2:8][C:12](=[O:18])[OH:19])[OH:17])[OH:20])[NH2:14])[CH:5]=[CH:3]1 |
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