| Properties | Image |
| MNX_ID | MNXM1122104 |
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| reference | chebi:159493 |
| formula | C14H25N3O7 |
| global charge | 0 |
| mol weight | 347.368 |
| InChIKey | JIHDFWWRYHSAQB-GUBZILKMSA-N |
| InChI | InChI=1S/C14H25N3O7/c1-7(2)5-8(15)12(21)17-10(6-18)13(22)16-9(14(23)24)3-4-11(19)20/h7-10,18H,3-6,15H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O7/c1-7(2)5-8(15)12(21)17-10(6-18)13(22)16-9(14(23)24)3-4-11(19)20/h7-10,18H,3-6,15H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:8]([C:12](=[N:17][C@@H:10]([CH2:6][OH:18])[C:13](=[N:16][C@@H:9]([CH2:3][CH2:4][C:11](=[O:19])[OH:20])[C:14](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:15] |
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