| Properties | Image |
|---|
| MNX_ID | MNXM1122855 |
 |
| reference | chebi:160252 |
| formula | C20H30N4O5 |
| global charge | 0 |
| mol weight | 406.483 |
| InChIKey | MIROMRNASYKZNL-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H30N4O5/c21-10-2-1-4-15(22)19(27)24-11-3-5-17(24)18(26)23-16(20(28)29)12-13-6-8-14(25)9-7-13/h6-9,15-17,25H,1-5,10-12,21-22H2,(H,23,26)(H,28,29)/t15-,16-,17-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O5/c21-10-2-1-4-15(22)19(27)24-11-3-5-17(24)18(26)23-16(20(28)29)12-13-6-8-14(25)9-7-13/h6-9,15-17,25H,1-5,10-12,21-22H2,(H,23,26)(H,28,29)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:10][NH2:21])[CH2:4][C@@H:15]([C:19]([N:24]1[CH2:11][CH2:3][CH2:5][C@H:17]1[C:18](=[N:23][C@@H:16]([CH2:12][C:13]1=[CH:7][CH:9]=[C:14]([OH:25])[CH:8]=[CH:6]1)[C:20](=[O:28])[OH:29])[OH:26])=[O:27])[NH2:22] |
|