| Properties | Image |
|---|
| MNX_ID | MNXM1121552 |
 |
| reference | chebi:158940 |
| formula | C17H32N6O6 |
| global charge | 0 |
| mol weight | 416.479 |
| InChIKey | NKBQZKVMKJJDLX-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H32N6O6/c1-9(2)8-12(16(28)29)23-15(27)11(5-6-13(24)25)22-14(26)10(18)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H32N6O6/c1-9(2)8-12(16(28)29)23-15(27)11(5-6-13(24)25)22-14(26)10(18)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:8][C@@H:12]([C:16](=[O:28])[OH:29])[N:23]=[C:15]([C@H:11]([CH2:5][CH2:6][C:13](=[O:24])[OH:25])[N:22]=[C:14]([C@H:10]([CH2:4][CH2:3][CH2:7][NH:21][C:17](=[NH:19])[NH2:20])[NH2:18])[OH:26])[OH:27] |
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