| Properties | Image |
|---|
| MNX_ID | MNXM1126232 |
 |
| reference | chebi:163646 |
| formula | C11H18N4O7 |
| global charge | 0 |
| mol weight | 318.286 |
| InChIKey | HDNXXTBKOJKWNN-WDSKDSINSA-N |
| InChI | InChI=1S/C11H18N4O7/c12-4-8(17)14-5(1-2-9(18)19)10(20)15-6(11(21)22)3-7(13)16/h5-6H,1-4,12H2,(H2,13,16)(H,14,17)(H,15,20)(H,18,19)(H,21,22)/t5-,6-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H18N4O7/c12-4-8(17)14-5(1-2-9(18)19)10(20)15-6(11(21)22)3-7(13)16/h5-6H,1-4,12H2,(H2,13,16)(H,14,17)(H,15,20)(H,18,19)(H,21,22)/t5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:9](=[O:18])[OH:19])[C@@H:5]([C:10](=[N:15][C@@H:6]([CH2:3][C:7](=[NH:13])[OH:16])[C:11](=[O:21])[OH:22])[OH:20])[N:14]=[C:8]([CH2:4][NH2:12])[OH:17] |
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