| Properties | Image |
|---|
| MNX_ID | MNXM1123503 |
 |
| reference | chebi:160904 |
| formula | C16H21N3O8 |
| global charge | 0 |
| mol weight | 383.357 |
| InChIKey | XYPJXLLXNSAWHZ-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H21N3O8/c17-10(6-13(22)23)14(24)19-12(7-20)15(25)18-11(16(26)27)5-8-1-3-9(21)4-2-8/h1-4,10-12,20-21H,5-7,17H2,(H,18,25)(H,19,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)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/C16H21N3O8/c17-10(6-13(22)23)14(24)19-12(7-20)15(25)18-11(16(26)27)5-8-1-3-9(21)4-2-8/h1-4,10-12,20-21H,5-7,17H2,(H,18,25)(H,19,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:21])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:11]([C:16](=[O:26])[OH:27])[N:18]=[C:15]([C@H:12]([CH2:7][OH:20])[N:19]=[C:14]([C@H:10]([CH2:6][C:13](=[O:22])[OH:23])[NH2:17])[OH:24])[OH:25] |
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