| Properties | Image |
|---|
| MNX_ID | MNXM1126977 |
 |
| reference | chebi:164394 |
| formula | C18H27N3O6 |
| global charge | 0 |
| mol weight | 381.429 |
| InChIKey | BPGDJSUFQKWUBK-KJEVXHAQSA-N |
| InChI | InChI=1S/C18H27N3O6/c1-9(2)15(21-16(24)14(19)10(3)22)17(25)20-13(18(26)27)8-11-4-6-12(23)7-5-11/h4-7,9-10,13-15,22-23H,8,19H2,1-3H3,(H,20,25)(H,21,24)(H,26,27)/t10-,13+,14+,15+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O6/c1-9(2)15(21-16(24)14(19)10(3)22)17(25)20-13(18(26)27)8-11-4-6-12(23)7-5-11/h4-7,9-10,13-15,22-23H,8,19H2,1-3H3,(H,20,25)(H,21,24)(H,26,27)/t10-,13+,14+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:15]([C:17](=[N:20][C@@H:13]([CH2:8][C:11]1=[CH:5][CH:7]=[C:12]([OH:23])[CH:6]=[CH:4]1)[C:18](=[O:26])[OH:27])[OH:25])[N:21]=[C:16]([C@H:14]([C@@H:10]([CH3:3])[OH:22])[NH2:19])[OH:24] |
|