| Properties | Image |
| MNX_ID | MNXM1122097 |
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| reference | chebi:159486 |
| formula | C13H23N3O7 |
| global charge | 0 |
| mol weight | 333.341 |
| InChIKey | IZPVWNSAVUQBGP-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H23N3O7/c1-6(2)3-7(14)11(20)16-9(5-17)12(21)15-8(13(22)23)4-10(18)19/h6-9,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O7/c1-6(2)3-7(14)11(20)16-9(5-17)12(21)15-8(13(22)23)4-10(18)19/h6-9,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:7]([C:11](=[N:16][C@@H:9]([CH2:5][OH:17])[C:12](=[N:15][C@@H:8]([CH2:4][C:10](=[O:18])[OH:19])[C:13](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:14] |
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