| Properties | Image |
| MNX_ID | MNXM1126198 |
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| reference | chebi:163612 |
| formula | C12H21N5O6 |
| global charge | 0 |
| mol weight | 331.329 |
| InChIKey | XLFHCWHXKSFVIB-BQBZGAKWSA-N |
| InChI | InChI=1S/C12H21N5O6/c13-5-10(20)16-6(1-3-8(14)18)11(21)17-7(12(22)23)2-4-9(15)19/h6-7H,1-5,13H2,(H2,14,18)(H2,15,19)(H,16,20)(H,17,21)(H,22,23)/t6-,7-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N5O6/c13-5-10(20)16-6(1-3-8(14)18)11(21)17-7(12(22)23)2-4-9(15)19/h6-7H,1-5,13H2,(H2,14,18)(H2,15,19)(H,16,20)(H,17,21)(H,22,23)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C:8](=[NH:14])[OH:18])[C@@H:6]([C:11](=[N:17][C@@H:7]([CH2:2][CH2:4][C:9](=[NH:15])[OH:19])[C:12](=[O:22])[OH:23])[OH:21])[N:16]=[C:10]([CH2:5][NH2:13])[OH:20] |
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