| Properties | Image |
|---|
| MNX_ID | MNXM1122203 |
 |
| reference | chebi:159594 |
| formula | C19H28N4O6 |
| global charge | 0 |
| mol weight | 408.455 |
| InChIKey | WUHBLPVELFTPQK-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H28N4O6/c1-10(2)7-13(20)17(26)22-14(8-11-3-5-12(24)6-4-11)18(27)23-15(19(28)29)9-16(21)25/h3-6,10,13-15,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O6/c1-10(2)7-13(20)17(26)22-14(8-11-3-5-12(24)6-4-11)18(27)23-15(19(28)29)9-16(21)25/h3-6,10,13-15,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:13]([C:17](=[N:22][C@@H:14]([CH2:8][C:11]1=[CH:4][CH:6]=[C:12]([OH:24])[CH:5]=[CH:3]1)[C:18](=[N:23][C@@H:15]([CH2:9][C:16](=[NH:21])[OH:25])[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:20] |
|