| Properties | Image |
|---|
| MNX_ID | MNXM1121514 |
 |
| reference | chebi:158902 |
| formula | C17H34N8O5 |
| global charge | 0 |
| mol weight | 430.51 |
| InChIKey | OBFTYSPXDRROQO-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H34N8O5/c18-8-2-1-5-12(16(29)30)25-15(28)11(6-7-13(20)26)24-14(27)10(19)4-3-9-23-17(21)22/h10-12H,1-9,18-19H2,(H2,20,26)(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/t10-,11-,12-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H34N8O5/c18-8-2-1-5-12(16(29)30)25-15(28)11(6-7-13(20)26)24-14(27)10(19)4-3-9-23-17(21)22/h10-12H,1-9,18-19H2,(H2,20,26)(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:18])[CH2:5][C@@H:12]([C:16](=[O:29])[OH:30])[N:25]=[C:15]([C@H:11]([CH2:6][CH2:7][C:13](=[NH:20])[OH:26])[N:24]=[C:14]([C@H:10]([CH2:4][CH2:3][CH2:9][NH:23][C:17](=[NH:21])[NH2:22])[NH2:19])[OH:27])[OH:28] |
|