| Properties | Image |
| MNX_ID | MNXM1125795 |
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| reference | chebi:163208 |
| formula | C12H23N3O6 |
| global charge | 0 |
| mol weight | 305.331 |
| InChIKey | UIPXCLNLUUAMJU-JBDRJPRFSA-N |
| InChI | InChI=1S/C12H23N3O6/c1-3-6(2)9(15-10(18)7(13)4-16)11(19)14-8(5-17)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7-,8-,9-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O6/c1-3-6(2)9(15-10(18)7(13)4-16)11(19)14-8(5-17)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:8]([CH2:5][OH:17])[C:12](=[O:20])[OH:21])[OH:19])[N:15]=[C:10]([C@H:7]([CH2:4][OH:16])[NH2:13])[OH:18] |
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