| Properties | Image |
| MNX_ID | MNXM1125544 |
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| reference | chebi:162956 |
| formula | C13H19N5O6 |
| global charge | 0 |
| mol weight | 341.324 |
| InChIKey | XIKYNVKEUINBGL-IUCAKERBSA-N |
| InChI | InChI=1S/C13H19N5O6/c14-8(1-2-10(19)20)12(23)18-9(3-7-4-15-6-17-7)13(24)16-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H,15,17)(H,16,24)(H,18,23)(H,19,20)(H,21,22)/t8-,9-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H19N5O6/c14-8(1-2-10(19)20)12(23)18-9(3-7-4-15-6-17-7)13(24)16-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H,15,17)(H,16,24)(H,18,23)(H,19,20)(H,21,22)/t8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:10](=[O:19])[OH:20])[C@@H:8]([C:12](=[N:18][C@@H:9]([CH2:3][C:7]1=[CH:4][N:15]=[CH:6][NH:17]1)[C:13](=[N:16][CH2:5][C:11](=[O:21])[OH:22])[OH:24])[OH:23])[NH2:14] |
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