| Properties | Image |
| MNX_ID | MNXM1125427 |
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| reference | chebi:162839 |
| formula | C13H22N4O7 |
| global charge | 0 |
| mol weight | 346.34 |
| InChIKey | OXEMJGCAJFFREE-FXQIFTODSA-N |
| InChI | InChI=1S/C13H22N4O7/c1-6(13(23)24)16-12(22)8(3-4-9(15)18)17-11(21)7(14)2-5-10(19)20/h6-8H,2-5,14H2,1H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N4O7/c1-6(13(23)24)16-12(22)8(3-4-9(15)18)17-11(21)7(14)2-5-10(19)20/h6-8H,2-5,14H2,1H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:13](=[O:23])[OH:24])[N:16]=[C:12]([C@H:8]([CH2:3][CH2:4][C:9](=[NH:15])[OH:18])[N:17]=[C:11]([C@H:7]([CH2:2][CH2:5][C:10](=[O:19])[OH:20])[NH2:14])[OH:21])[OH:22] |
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