| Properties | Image |
| MNX_ID | MNXM1124453 |
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| reference | chebi:161857 |
| formula | C15H21N3O6 |
| global charge | 0 |
| mol weight | 339.348 |
| InChIKey | MCIXMYKSPQUMJG-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H21N3O6/c16-10(6-9-4-2-1-3-5-9)13(21)17-11(7-19)14(22)18-12(8-20)15(23)24/h1-5,10-12,19-20H,6-8,16H2,(H,17,21)(H,18,22)(H,23,24)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O6/c16-10(6-9-4-2-1-3-5-9)13(21)17-11(7-19)14(22)18-12(8-20)15(23)24/h1-5,10-12,19-20H,6-8,16H2,(H,17,21)(H,18,22)(H,23,24)/t10-,11-,12-/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:17][C@@H:11]([CH2:7][OH:19])[C:14](=[N:18][C@@H:12]([CH2:8][OH:20])[C:15](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:16])[CH:5]=[CH:3]1 |
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