| Properties | Image |
|---|
| MNX_ID | MNXM1121493 |
 |
| reference | chebi:158881 |
| formula | C19H29N3O6 |
| global charge | 0 |
| mol weight | 395.456 |
| InChIKey | NGKPIPCGMLWHBX-WZLNRYEVSA-N |
| InChI | InChI=1S/C19H29N3O6/c1-4-10(2)15(20)18(26)21-14(9-12-5-7-13(24)8-6-12)17(25)22-16(11(3)23)19(27)28/h5-8,10-11,14-16,23-24H,4,9,20H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)/t10-,11+,14-,15-,16-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N3O6/c1-4-10(2)15(20)18(26)21-14(9-12-5-7-13(24)8-6-12)17(25)22-16(11(3)23)19(27)28/h5-8,10-11,14-16,23-24H,4,9,20H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)/t10-,11+,14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:15]([C:18](=[N:21][C@@H:14]([CH2:9][C:12]1=[CH:6][CH:8]=[C:13]([OH:24])[CH:7]=[CH:5]1)[C:17](=[N:22][C@@H:16]([C@@H:11]([CH3:3])[OH:23])[C:19](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:20] |
|