| Properties | Image |
|---|
| MNX_ID | MNXM1121829 |
 |
| reference | chebi:159218 |
| formula | C19H26N4O4 |
| global charge | 0 |
| mol weight | 374.441 |
| InChIKey | JRJLGNFWYFSJHB-HOCLYGCPSA-N |
| InChI | InChI=1S/C19H26N4O4/c1-11(2)7-14(20)18(25)22-10-17(24)23-16(19(26)27)8-12-9-21-15-6-4-3-5-13(12)15/h3-6,9,11,14,16,21H,7-8,10,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t14-,16-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O4/c1-11(2)7-14(20)18(25)22-10-17(24)23-16(19(26)27)8-12-9-21-15-6-4-3-5-13(12)15/h3-6,9,11,14,16,21H,7-8,10,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:7][C@@H:14]([C:18](=[N:22][CH2:10][C:17](=[N:23][C@@H:16]([CH2:8][C:12]1=[CH:9][NH:21][C:15]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]12)[C:19](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:20] |
|