| Properties | Image |
|---|
| MNX_ID | MNXM1123592 |
 |
| reference | chebi:160993 |
| formula | C17H21N3O9 |
| global charge | 0 |
| mol weight | 411.367 |
| InChIKey | USENATHVGFXRNO-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H21N3O9/c18-10(6-13(22)23)15(26)19-11(5-8-1-3-9(21)4-2-8)16(27)20-12(17(28)29)7-14(24)25/h1-4,10-12,21H,5-7,18H2,(H,19,26)(H,20,27)(H,22,23)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H21N3O9/c18-10(6-13(22)23)15(26)19-11(5-8-1-3-9(21)4-2-8)16(27)20-12(17(28)29)7-14(24)25/h1-4,10-12,21H,5-7,18H2,(H,19,26)(H,20,27)(H,22,23)(H,24,25)(H,28,29)/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](=[N:20][C@@H:12]([CH2:7][C:14](=[O:24])[OH:25])[C:17](=[O:28])[OH:29])[OH:27])[N:19]=[C:15]([C@H:10]([CH2:6][C:13](=[O:22])[OH:23])[NH2:18])[OH:26] |
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