| Properties | Image |
| MNX_ID | MNXM1126410 |
 |
| reference | chebi:163824 |
| formula | C17H25N3O5 |
| global charge | 0 |
| mol weight | 351.403 |
| InChIKey | AFWYPMDMDYCKMD-KBPBESRZSA-N |
| InChI | InChI=1S/C17H25N3O5/c1-10(2)7-13(19-15(22)9-18)16(23)20-14(17(24)25)8-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t13-,14-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O5/c1-10(2)7-13(19-15(22)9-18)16(23)20-14(17(24)25)8-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:13]([C:16](=[N:20][C@@H:14]([CH2:8][C:11]1=[CH:4][CH:6]=[C:12]([OH:21])[CH:5]=[CH:3]1)[C:17](=[O:24])[OH:25])[OH:23])[N:19]=[C:15]([CH2:9][NH2:18])[OH:22] |
|