| Properties | Image |
|---|
| MNX_ID | MNXM1127104 |
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| reference | chebi:164522 |
| formula | C19H22N4O8 |
| global charge | 0 |
| mol weight | 434.405 |
| InChIKey | VEYXZZGMIBKXCN-UBHSHLNASA-N |
| InChI | InChI=1S/C19H22N4O8/c20-11(5-9-8-21-12-4-2-1-3-10(9)12)17(28)22-13(6-15(24)25)18(29)23-14(19(30)31)7-16(26)27/h1-4,8,11,13-14,21H,5-7,20H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H22N4O8/c20-11(5-9-8-21-12-4-2-1-3-10(9)12)17(28)22-13(6-15(24)25)18(29)23-14(19(30)31)7-16(26)27/h1-4,8,11,13-14,21H,5-7,20H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]2[C:10](=[CH:3]1)[C:9]([CH2:5][C@@H:11]([C:17](=[N:22][C@@H:13]([CH2:6][C:15](=[O:24])[OH:25])[C:18](=[N:23][C@@H:14]([CH2:7][C:16](=[O:26])[OH:27])[C:19](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:20])=[CH:8][NH:21]2 |
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