| Properties | Image |
|---|
| MNX_ID | MNXM1122379 |
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| reference | chebi:159772 |
| formula | C12H22N4O5 |
| global charge | 0 |
| mol weight | 302.331 |
| InChIKey | PBSQFBAJKPLRJY-BYULHYEWSA-N |
| InChI | InChI=1S/C12H22N4O5/c1-3-6(2)10(12(20)21)16-9(18)5-15-11(19)7(13)4-8(14)17/h6-7,10H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O5/c1-3-6(2)10(12(20)21)16-9(18)5-15-11(19)7(13)4-8(14)17/h6-7,10H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:10]([C:12](=[O:20])[OH:21])[N:16]=[C:9]([CH2:5][N:15]=[C:11]([C@H:7]([CH2:4][C:8](=[NH:14])[OH:17])[NH2:13])[OH:19])[OH:18] |
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