| Properties | Image |
|---|
| MNX_ID | MNXM1126830 |
 |
| reference | chebi:164247 |
| formula | C18H32N8O4 |
| global charge | 0 |
| mol weight | 424.506 |
| InChIKey | JBJNKUOMNZGQIM-PYJNHQTQSA-N |
| InChI | InChI=1S/C18H32N8O4/c1-3-10(2)14(17(29)30)26-16(28)13(5-4-6-23-18(20)21)25-15(27)12(19)7-11-8-22-9-24-11/h8-10,12-14H,3-7,19H2,1-2H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,23)/t10-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H32N8O4/c1-3-10(2)14(17(29)30)26-16(28)13(5-4-6-23-18(20)21)25-15(27)12(19)7-11-8-22-9-24-11/h8-10,12-14H,3-7,19H2,1-2H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,23)/t10-,12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:14]([C:17](=[O:29])[OH:30])[N:26]=[C:16]([C@H:13]([CH2:5][CH2:4][CH2:6][NH:23][C:18](=[NH:20])[NH2:21])[N:25]=[C:15]([C@H:12]([CH2:7][C:11]1=[CH:8][N:22]=[CH:9][NH:24]1)[NH2:19])[OH:27])[OH:28] |
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