| Properties | Image |
|---|
| MNX_ID | MNXM1123623 |
 |
| reference | chebi:161025 |
| formula | C18H25N3O7 |
| global charge | 0 |
| mol weight | 395.412 |
| InChIKey | BYLPQJAWXJWUCJ-YDHLFZDLSA-N |
| InChI | InChI=1S/C18H25N3O7/c1-9(2)15(18(27)28)21-17(26)13(7-10-3-5-11(22)6-4-10)20-16(25)12(19)8-14(23)24/h3-6,9,12-13,15,22H,7-8,19H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,15-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H25N3O7/c1-9(2)15(18(27)28)21-17(26)13(7-10-3-5-11(22)6-4-10)20-16(25)12(19)8-14(23)24/h3-6,9,12-13,15,22H,7-8,19H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:15]([C:18](=[O:27])[OH:28])[N:21]=[C:17]([C@H:13]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:22])[CH:5]=[CH:3]1)[N:20]=[C:16]([C@H:12]([CH2:8][C:14](=[O:23])[OH:24])[NH2:19])[OH:25])[OH:26] |
|