| Properties | Image |
|---|
| MNX_ID | MNXM1124484 |
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| reference | chebi:161888 |
| formula | C13H22N4O5 |
| global charge | 0 |
| mol weight | 314.342 |
| InChIKey | OYTPNWYZORARHL-XHNCKOQMSA-N |
| InChI | InChI=1S/C13H22N4O5/c1-7(16-11(19)8(14)4-5-10(15)18)12(20)17-6-2-3-9(17)13(21)22/h7-9H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9+/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N4O5/c1-7(16-11(19)8(14)4-5-10(15)18)12(20)17-6-2-3-9(17)13(21)22/h7-9H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:7]([C:12]([N:17]1[CH2:6][CH2:2][CH2:3][C@@H:9]1[C:13](=[O:21])[OH:22])=[O:20])[N:16]=[C:11]([C@H:8]([CH2:4][CH2:5][C:10](=[NH:15])[OH:18])[NH2:14])[OH:19] |
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