| Properties | Image |
|---|
| MNX_ID | MNXM1127101 |
 |
| reference | chebi:164519 |
| formula | C17H24N8O5 |
| global charge | 0 |
| mol weight | 420.43 |
| InChIKey | IDQNVIWPPWAFSY-AVGNSLFASA-N |
| InChI | InChI=1S/C17H24N8O5/c18-11(3-9-5-20-7-22-9)15(27)25-13(4-10-6-21-8-23-10)16(28)24-12(17(29)30)1-2-14(19)26/h5-8,11-13H,1-4,18H2,(H2,19,26)(H,20,22)(H,21,23)(H,24,28)(H,25,27)(H,29,30)/t11-,12-,13-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N8O5/c18-11(3-9-5-20-7-22-9)15(27)25-13(4-10-6-21-8-23-10)16(28)24-12(17(29)30)1-2-14(19)26/h5-8,11-13H,1-4,18H2,(H2,19,26)(H,20,22)(H,21,23)(H,24,28)(H,25,27)(H,29,30)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:14](=[NH:19])[OH:26])[C@@H:12]([C:17](=[O:29])[OH:30])[N:24]=[C:16]([C@H:13]([CH2:4][C:10]1=[CH:6][N:21]=[CH:8][NH:23]1)[N:25]=[C:15]([C@H:11]([CH2:3][C:9]1=[CH:5][N:20]=[CH:7][NH:22]1)[NH2:18])[OH:27])[OH:28] |
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