| Properties | Image |
|---|
| MNX_ID | MNXM1178727 |
 |
| reference | envipathM:...74aa9e1688e4 |
| formula | C18H19N3O7 |
| global charge | 0 |
| mol weight | 389.364 |
| InChIKey | ZKHMJVXGUAPUJT-YRGRVCCFSA-N |
| InChI | InChI=1S/C18H19N3O7/c1-3-21-6-10(13(23)9-5-4-8(2)19-16(9)21)17(26)20-12-15(25)14(24)11(7-22)28-18(12)27/h4-6,11-12,14,22,24H,3,7H2,1-2H3,(H,20,26)/t11-,12-,14-/m1/s1 |
| SMILES | CCN1C=C(C(=O)N[C@H]2C(=O)O[C@H](CO)[C@@H](O)C2=O)C(=O)C2=CC=C(C)N=C21 |
MNX internals
| InChI (mnx) | InChI=1/C18H19N3O7/c1-3-21-6-10(13(23)9-5-4-8(2)19-16(9)21)17(26)20-12-15(25)14(24)11(7-22)28-18(12)27/h4-6,11-12,14,22,24H,3,7H2,1-2H3,(H,20,26)/t11-,12-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][N:21]1[CH:6]=[C:10]([C:17](=[N:20][C@@H:12]2[C:15](=[O:25])[C@H:14]([OH:24])[C@@H:11]([CH2:7][OH:22])[O:28][C:18]2=[O:27])[OH:26])[C:13](=[O:23])[C:9]2=[C:16]1[N:19]=[C:8]([CH3:2])[CH:4]=[CH:5]2 |
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