| Properties | Image |
|---|
| MNX_ID | MNXM1122754 |
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| reference | chebi:160149 |
| formula | C12H22N4O7 |
| global charge | 0 |
| mol weight | 334.329 |
| InChIKey | UXHYOWXTJLBEPG-GSSVUCPTSA-N |
| InChI | InChI=1S/C12H22N4O7/c1-4(17)8(15-10(20)6(13)3-7(14)19)11(21)16-9(5(2)18)12(22)23/h4-6,8-9,17-18H,3,13H2,1-2H3,(H2,14,19)(H,15,20)(H,16,21)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O7/c1-4(17)8(15-10(20)6(13)3-7(14)19)11(21)16-9(5(2)18)12(22)23/h4-6,8-9,17-18H,3,13H2,1-2H3,(H2,14,19)(H,15,20)(H,16,21)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:8]([C:11](=[N:16][C@@H:9]([C@@H:5]([CH3:2])[OH:18])[C:12](=[O:22])[OH:23])[OH:21])[N:15]=[C:10]([C@H:6]([CH2:3][C:7](=[NH:14])[OH:19])[NH2:13])[OH:20])[OH:17] |
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