| Properties | Image |
| MNX_ID | MNXM1122693 |
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| reference | chebi:160087 |
| formula | C12H20N4O8 |
| global charge | 0 |
| mol weight | 348.312 |
| InChIKey | GZXOUBTUAUAVHD-ACZMJKKPSA-N |
| InChI | InChI=1S/C12H20N4O8/c13-5(3-8(14)18)10(21)16-7(4-17)11(22)15-6(12(23)24)1-2-9(19)20/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H20N4O8/c13-5(3-8(14)18)10(21)16-7(4-17)11(22)15-6(12(23)24)1-2-9(19)20/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:9](=[O:19])[OH:20])[C@@H:6]([C:12](=[O:23])[OH:24])[N:15]=[C:11]([C@H:7]([CH2:4][OH:17])[N:16]=[C:10]([C@H:5]([CH2:3][C:8](=[NH:14])[OH:18])[NH2:13])[OH:21])[OH:22] |
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