| Properties | Image |
| MNX_ID | MNXM1123276 |
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| reference | chebi:160676 |
| formula | C14H23N3O8 |
| global charge | 0 |
| mol weight | 361.351 |
| InChIKey | PAYPSKIBMDHZPI-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H23N3O8/c1-6(2)3-8(16-12(22)7(15)4-10(18)19)13(23)17-9(14(24)25)5-11(20)21/h6-9H,3-5,15H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H23N3O8/c1-6(2)3-8(16-12(22)7(15)4-10(18)19)13(23)17-9(14(24)25)5-11(20)21/h6-9H,3-5,15H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:8]([C:13](=[N:17][C@@H:9]([CH2:5][C:11](=[O:20])[OH:21])[C:14](=[O:24])[OH:25])[OH:23])[N:16]=[C:12]([C@H:7]([CH2:4][C:10](=[O:18])[OH:19])[NH2:15])[OH:22] |
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