| Properties | Image |
|---|
| MNX_ID | MNXM1120707 |
 |
| reference | chebi:158088 |
| formula | C17H30N8O4 |
| global charge | 0 |
| mol weight | 410.479 |
| InChIKey | WYKXJGWSJUULSL-AVGNSLFASA-N |
| InChI | InChI=1S/C17H30N8O4/c1-9(2)13(25-14(26)11(18)6-10-7-21-8-23-10)15(27)24-12(16(28)29)4-3-5-22-17(19)20/h7-9,11-13H,3-6,18H2,1-2H3,(H,21,23)(H,24,27)(H,25,26)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H30N8O4/c1-9(2)13(25-14(26)11(18)6-10-7-21-8-23-10)15(27)24-12(16(28)29)4-3-5-22-17(19)20/h7-9,11-13H,3-6,18H2,1-2H3,(H,21,23)(H,24,27)(H,25,26)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:13]([C:15](=[N:24][C@@H:12]([CH2:4][CH2:3][CH2:5][NH:22][C:17](=[NH:19])[NH2:20])[C:16](=[O:28])[OH:29])[OH:27])[N:25]=[C:14]([C@H:11]([CH2:6][C:10]1=[CH:7][N:21]=[CH:8][NH:23]1)[NH2:18])[OH:26] |
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