| Properties | Image |
|---|
| MNX_ID | MNXM151846 |
 |
| reference | chebi:73329 |
| formula | C16H25N5O8 |
| global charge | 0 |
| mol weight | 415.403 |
| InChIKey | YIQAOPNCIJVKDN-XKNYDFJKSA-N |
| InChI | InChI=1S/C16H25N5O8/c1-7(17)13(25)19-8(5-11(18)22)14(26)20-9(6-12(23)24)15(27)21-4-2-3-10(21)16(28)29/h7-10H,2-6,17H2,1H3,(H2,18,22)(H,19,25)(H,20,26)(H,23,24)(H,28,29)/t7-,8-,9-,10-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O8/c1-7(17)13(25)19-8(5-11(18)22)14(26)20-9(6-12(23)24)15(27)21-4-2-3-10(21)16(28)29/h7-10H,2-6,17H2,1H3,(H2,18,22)(H,19,25)(H,20,26)(H,23,24)(H,28,29)/t7-,8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:7]([C:13](=[N:19][C@@H:8]([CH2:5][C:11](=[NH:18])[OH:22])[C:14](=[N:20][C@@H:9]([CH2:6][C:12](=[O:23])[OH:24])[C:15]([N:21]1[CH2:4][CH2:2][CH2:3][C@H:10]1[C:16](=[O:28])[OH:29])=[O:27])[OH:26])[OH:25])[NH2:17] |
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