| Properties | Image |
| MNX_ID | MNXM1125684 |
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| reference | chebi:163096 |
| formula | C13H23N3O7 |
| global charge | 0 |
| mol weight | 333.341 |
| InChIKey | OHKFXGKHSJKKAL-NRPADANISA-N |
| InChI | InChI=1S/C13H23N3O7/c1-6(2)10(13(22)23)16-12(21)8(3-4-9(18)19)15-11(20)7(14)5-17/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t7-,8-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O7/c1-6(2)10(13(22)23)16-12(21)8(3-4-9(18)19)15-11(20)7(14)5-17/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t7-,8-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:13](=[O:22])[OH:23])[N:16]=[C:12]([C@H:8]([CH2:3][CH2:4][C:9](=[O:18])[OH:19])[N:15]=[C:11]([C@H:7]([CH2:5][OH:17])[NH2:14])[OH:20])[OH:21] |
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