| Properties | Image |
|---|
| MNX_ID | MNXM1123463 |
 |
| reference | chebi:160864 |
| formula | C18H23N3O7 |
| global charge | 0 |
| mol weight | 393.396 |
| InChIKey | GGRSYTUJHAZTFN-IHRRRGAJSA-N |
| InChI | InChI=1S/C18H23N3O7/c19-12(9-15(23)24)17(26)21-7-1-2-14(21)16(25)20-13(18(27)28)8-10-3-5-11(22)6-4-10/h3-6,12-14,22H,1-2,7-9,19H2,(H,20,25)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N3O7/c19-12(9-15(23)24)17(26)21-7-1-2-14(21)16(25)20-13(18(27)28)8-10-3-5-11(22)6-4-10/h3-6,12-14,22H,1-2,7-9,19H2,(H,20,25)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:14]([C:16](=[N:20][C@@H:13]([CH2:8][C:10]2=[CH:4][CH:6]=[C:11]([OH:22])[CH:5]=[CH:3]2)[C:18](=[O:27])[OH:28])[OH:25])[N:21]([C:17]([C@H:12]([CH2:9][C:15](=[O:23])[OH:24])[NH2:19])=[O:26])[CH2:7]1 |
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