| Properties | Image |
|---|
| MNX_ID | MNXM1122335 |
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| reference | chebi:159728 |
| formula | C11H18N4O7 |
| global charge | 0 |
| mol weight | 318.286 |
| InChIKey | GNKVBRYFXYWXAB-WDSKDSINSA-N |
| InChI | InChI=1S/C11H18N4O7/c12-5(3-7(13)16)10(21)15-6(1-2-8(17)18)11(22)14-4-9(19)20/h5-6H,1-4,12H2,(H2,13,16)(H,14,22)(H,15,21)(H,17,18)(H,19,20)/t5-,6-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H18N4O7/c12-5(3-7(13)16)10(21)15-6(1-2-8(17)18)11(22)14-4-9(19)20/h5-6H,1-4,12H2,(H2,13,16)(H,14,22)(H,15,21)(H,17,18)(H,19,20)/t5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[O:17])[OH:18])[C@@H:6]([C:11](=[N:14][CH2:4][C:9](=[O:19])[OH:20])[OH:22])[N:15]=[C:10]([C@H:5]([CH2:3][C:7](=[NH:13])[OH:16])[NH2:12])[OH:21] |
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