| Properties | Image |
|---|
| MNX_ID | MNXM1123149 |
 |
| reference | chebi:160549 |
| formula | C18H23N3O9 |
| global charge | 0 |
| mol weight | 425.394 |
| InChIKey | RRKCPMGSRIDLNC-AVGNSLFASA-N |
| InChI | InChI=1S/C18H23N3O9/c19-11(8-15(25)26)16(27)20-12(5-6-14(23)24)17(28)21-13(18(29)30)7-9-1-3-10(22)4-2-9/h1-4,11-13,22H,5-8,19H2,(H,20,27)(H,21,28)(H,23,24)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N3O9/c19-11(8-15(25)26)16(27)20-12(5-6-14(23)24)17(28)21-13(18(29)30)7-9-1-3-10(22)4-2-9/h1-4,11-13,22H,5-8,19H2,(H,20,27)(H,21,28)(H,23,24)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:22])=[CH:4][CH:2]=[C:9]1[CH2:7][C@@H:13]([C:18](=[O:29])[OH:30])[N:21]=[C:17]([C@H:12]([CH2:5][CH2:6][C:14](=[O:23])[OH:24])[N:20]=[C:16]([C@H:11]([CH2:8][C:15](=[O:25])[OH:26])[NH2:19])[OH:27])[OH:28] |
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