| Properties | Image |
|---|
| MNX_ID | MNXM1120622 |
 |
| reference | chebi:158003 |
| formula | C19H25N5O6 |
| global charge | 0 |
| mol weight | 419.438 |
| InChIKey | DEMIXZCKUXVEBO-BWAGICSOSA-N |
| InChI | InChI=1S/C19H25N5O6/c1-10(25)16(24-17(27)14(20)7-12-8-21-9-22-12)18(28)23-15(19(29)30)6-11-2-4-13(26)5-3-11/h2-5,8-10,14-16,25-26H,6-7,20H2,1H3,(H,21,22)(H,23,28)(H,24,27)(H,29,30)/t10-,14+,15+,16+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O6/c1-10(25)16(24-17(27)14(20)7-12-8-21-9-22-12)18(28)23-15(19(29)30)6-11-2-4-13(26)5-3-11/h2-5,8-10,14-16,25-26H,6-7,20H2,1H3,(H,21,22)(H,23,28)(H,24,27)(H,29,30)/t10-,14+,15+,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]([C@@H:16]([C:18](=[N:23][C@@H:15]([CH2:6][C:11]1=[CH:3][CH:5]=[C:13]([OH:26])[CH:4]=[CH:2]1)[C:19](=[O:29])[OH:30])[OH:28])[N:24]=[C:17]([C@H:14]([CH2:7][C:12]1=[CH:8][N:21]=[CH:9][NH:22]1)[NH2:20])[OH:27])[OH:25] |
|