| Properties | Image |
|---|
| MNX_ID | MNXM1123526 |
 |
| reference | chebi:160927 |
| formula | C14H25N3O7 |
| global charge | 0 |
| mol weight | 347.368 |
| InChIKey | JSNWZMFSLIWAHS-HJGDQZAQSA-N |
| InChI | InChI=1S/C14H25N3O7/c1-6(2)4-9(14(23)24)16-13(22)11(7(3)18)17-12(21)8(15)5-10(19)20/h6-9,11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O7/c1-6(2)4-9(14(23)24)16-13(22)11(7(3)18)17-12(21)8(15)5-10(19)20/h6-9,11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:9]([C:14](=[O:23])[OH:24])[N:16]=[C:13]([C@H:11]([C@@H:7]([CH3:3])[OH:18])[N:17]=[C:12]([C@H:8]([CH2:5][C:10](=[O:19])[OH:20])[NH2:15])[OH:21])[OH:22] |
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