| Properties | Image |
|---|
| MNX_ID | MNXM1122282 |
 |
| reference | chebi:159674 |
| formula | C12H21N5O6 |
| global charge | 0 |
| mol weight | 331.329 |
| InChIKey | FAEFJTCTNZTPHX-ACZMJKKPSA-N |
| InChI | InChI=1S/C12H21N5O6/c1-5(12(22)23)16-11(21)7(2-3-8(14)18)17-10(20)6(13)4-9(15)19/h5-7H,2-4,13H2,1H3,(H2,14,18)(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t5-,6-,7-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N5O6/c1-5(12(22)23)16-11(21)7(2-3-8(14)18)17-10(20)6(13)4-9(15)19/h5-7H,2-4,13H2,1H3,(H2,14,18)(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t5-,6-,7-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:5]([C:12](=[O:22])[OH:23])[N:16]=[C:11]([C@H:7]([CH2:2][CH2:3][C:8](=[NH:14])[OH:18])[N:17]=[C:10]([C@H:6]([CH2:4][C:9](=[NH:15])[OH:19])[NH2:13])[OH:20])[OH:21] |
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