| Properties | Image |
| MNX_ID | MNXM1122845 |
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| reference | chebi:160241 |
| formula | C13H23N5O6 |
| global charge | 0 |
| mol weight | 345.356 |
| InChIKey | MJIJBEYEHBKTIM-BYULHYEWSA-N |
| InChI | InChI=1S/C13H23N5O6/c1-5(2)10(18-11(21)6(14)3-8(15)19)12(22)17-7(13(23)24)4-9(16)20/h5-7,10H,3-4,14H2,1-2H3,(H2,15,19)(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t6-,7-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N5O6/c1-5(2)10(18-11(21)6(14)3-8(15)19)12(22)17-7(13(23)24)4-9(16)20/h5-7,10H,3-4,14H2,1-2H3,(H2,15,19)(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t6-,7-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:10]([C:12](=[N:17][C@@H:7]([CH2:4][C:9](=[NH:16])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[N:18]=[C:11]([C@H:6]([CH2:3][C:8](=[NH:15])[OH:19])[NH2:14])[OH:21] |
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