| Properties | Image |
|---|
| MNX_ID | MNXM1122674 |
 |
| reference | chebi:160068 |
| formula | C13H22N4O6 |
| global charge | 0 |
| mol weight | 330.341 |
| InChIKey | IDUUACUJKUXKKD-VEVYYDQMSA-N |
| InChI | InChI=1S/C13H22N4O6/c1-6(18)10(13(22)23)16-11(20)8-3-2-4-17(8)12(21)7(14)5-9(15)19/h6-8,10,18H,2-5,14H2,1H3,(H2,15,19)(H,16,20)(H,22,23)/t6-,7+,8+,10+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N4O6/c1-6(18)10(13(22)23)16-11(20)8-3-2-4-17(8)12(21)7(14)5-9(15)19/h6-8,10,18H,2-5,14H2,1H3,(H2,15,19)(H,16,20)(H,22,23)/t6-,7+,8+,10+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:10]([C:13](=[O:22])[OH:23])[N:16]=[C:11]([C@@H:8]1[CH2:3][CH2:2][CH2:4][N:17]1[C:12]([C@H:7]([CH2:5][C:9](=[NH:15])[OH:19])[NH2:14])=[O:21])[OH:20])[OH:18] |
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