| Properties | Image |
|---|
| MNX_ID | MNXM1191188 |
 |
| reference | envipathM:...4d310ea6963d |
| formula | C22H25N3O9 |
| global charge | 0 |
| mol weight | 475.454 |
| InChIKey | GCDWZVXZZWTJNO-SGNWCULFSA-N |
| InChI | InChI=1S/C22H25N3O9/c1-5-25-8-14(17(29)13-7-6-10(2)23-20(13)25)21(30)24-16-19(33-12(4)28)18(32-11(3)27)15(9-26)34-22(16)31/h6-9,15-16,18-19,22,31H,5H2,1-4H3,(H,24,30)/t15-,16-,18?,19+,22-/m0/s1 |
| SMILES | CCN1C=C(C(=O)N[C@@H]2[C@@H](O)O[C@@H](C=O)C(OC(C)=O)[C@@H]2OC(C)=O)C(=O)C2=CC=C(C)N=C21 |
MNX internals
| InChI (mnx) | InChI=1/C22H25N3O9/c1-5-25-8-14(17(29)13-7-6-10(2)23-20(13)25)21(30)24-16-19(33-12(4)28)18(32-11(3)27)15(9-26)34-22(16)31/h6-9,15-16,18-19,22,31H,5H2,1-4H3,(H,24,30)/t15-,16-,18?,19+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][N:25]1[CH:8]=[C:14]([C:21](=[N:24][C@H:16]2[C@@H:19]([O:33][C:12]([CH3:4])=[O:28])[CH:18]([O:32][C:11]([CH3:3])=[O:27])[C@H:15]([CH:9]=[O:26])[O:34][C@@H:22]2[OH:31])[OH:30])[C:17](=[O:29])[C:13]2=[C:20]1[N:23]=[C:10]([CH3:2])[CH:6]=[CH:7]2 |
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