| Properties | Image |
|---|
| MNX_ID | MNXM1123542 |
 |
| reference | chebi:160943 |
| formula | C17H23N3O8 |
| global charge | 0 |
| mol weight | 397.384 |
| InChIKey | JDDYEZGPYBBPBN-JRQIVUDYSA-N |
| InChI | InChI=1S/C17H23N3O8/c1-8(21)14(20-15(25)11(18)7-13(23)24)16(26)19-12(17(27)28)6-9-2-4-10(22)5-3-9/h2-5,8,11-12,14,21-22H,6-7,18H2,1H3,(H,19,26)(H,20,25)(H,23,24)(H,27,28)/t8-,11+,12+,14+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O8/c1-8(21)14(20-15(25)11(18)7-13(23)24)16(26)19-12(17(27)28)6-9-2-4-10(22)5-3-9/h2-5,8,11-12,14,21-22H,6-7,18H2,1H3,(H,19,26)(H,20,25)(H,23,24)(H,27,28)/t8-,11+,12+,14+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:14]([C:16](=[N:19][C@@H:12]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:22])[CH:4]=[CH:2]1)[C:17](=[O:27])[OH:28])[OH:26])[N:20]=[C:15]([C@H:11]([CH2:7][C:13](=[O:23])[OH:24])[NH2:18])[OH:25])[OH:21] |
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