| Properties | Image |
| MNX_ID | MNXM1126039 |
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| reference | chebi:163453 |
| formula | C15H21N3O7 |
| global charge | 0 |
| mol weight | 355.347 |
| InChIKey | OLKICIBQRVSQMA-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H21N3O7/c16-10(6-19)13(22)18-12(7-20)14(23)17-11(15(24)25)5-8-1-3-9(21)4-2-8/h1-4,10-12,19-21H,5-7,16H2,(H,17,23)(H,18,22)(H,24,25)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O7/c16-10(6-19)13(22)18-12(7-20)14(23)17-11(15(24)25)5-8-1-3-9(21)4-2-8/h1-4,10-12,19-21H,5-7,16H2,(H,17,23)(H,18,22)(H,24,25)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:21])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:11]([C:15](=[O:24])[OH:25])[N:17]=[C:14]([C@H:12]([CH2:7][OH:20])[N:18]=[C:13]([C@H:10]([CH2:6][OH:19])[NH2:16])[OH:22])[OH:23] |
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