| Properties | Image |
|---|
| MNX_ID | MNXM1121186 |
 |
| reference | chebi:158573 |
| formula | C19H24N4O6 |
| global charge | 0 |
| mol weight | 404.423 |
| InChIKey | PXAFZDXYEIIUTF-LKTVYLICSA-N |
| InChI | InChI=1S/C19H24N4O6/c1-10(20)17(26)23-15(8-11-9-21-13-5-3-2-4-12(11)13)18(27)22-14(19(28)29)6-7-16(24)25/h2-5,9-10,14-15,21H,6-8,20H2,1H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t10-,14-,15-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N4O6/c1-10(20)17(26)23-15(8-11-9-21-13-5-3-2-4-12(11)13)18(27)22-14(19(28)29)6-7-16(24)25/h2-5,9-10,14-15,21H,6-8,20H2,1H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t10-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:10]([C:17](=[N:23][C@@H:15]([CH2:8][C:11]1=[CH:9][NH:21][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[C:18](=[N:22][C@@H:14]([CH2:6][CH2:7][C:16](=[O:24])[OH:25])[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:20] |
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