| Properties | Image |
| MNX_ID | MNXM1123655 |
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| reference | chebi:161057 |
| formula | C12H21N3O7 |
| global charge | 0 |
| mol weight | 319.314 |
| InChIKey | QOJJMJKTMKNFEF-ZKWXMUAHSA-N |
| InChI | InChI=1S/C12H21N3O7/c1-5(2)9(11(20)14-7(4-16)12(21)22)15-10(19)6(13)3-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t6-,7-,9-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O7/c1-5(2)9(11(20)14-7(4-16)12(21)22)15-10(19)6(13)3-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t6-,7-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:7]([CH2:4][OH:16])[C:12](=[O:21])[OH:22])[OH:20])[N:15]=[C:10]([C@H:6]([CH2:3][C:8](=[O:17])[OH:18])[NH2:13])[OH:19] |
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