| Properties | Image |
|---|
| MNX_ID | MNXM1122178 |
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| reference | chebi:159568 |
| formula | C10H17N5O6 |
| global charge | 0 |
| mol weight | 303.275 |
| InChIKey | PCKRJVZAQZWNKM-WHFBIAKZSA-N |
| InChI | InChI=1S/C10H17N5O6/c11-4(1-6(12)16)9(20)15-5(2-7(13)17)10(21)14-3-8(18)19/h4-5H,1-3,11H2,(H2,12,16)(H2,13,17)(H,14,21)(H,15,20)(H,18,19)/t4-,5-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H17N5O6/c11-4(1-6(12)16)9(20)15-5(2-7(13)17)10(21)14-3-8(18)19/h4-5H,1-3,11H2,(H2,12,16)(H2,13,17)(H,14,21)(H,15,20)(H,18,19)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]([C:9](=[N:15][C@@H:5]([CH2:2][C:7](=[NH:13])[OH:17])[C:10](=[N:14][CH2:3][C:8](=[O:18])[OH:19])[OH:21])[OH:20])[NH2:11])[C:6](=[NH:12])[OH:16] |
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