| Properties | Image |
|---|
| MNX_ID | MNXM1122533 |
 |
| reference | chebi:159927 |
| formula | C20H30N4O6 |
| global charge | 0 |
| mol weight | 422.482 |
| InChIKey | DUTMKEAPLLUGNO-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H30N4O6/c21-11-5-4-8-14(22)18(27)23-15(9-10-17(25)26)19(28)24-16(20(29)30)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t14-,15-,16-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O6/c21-11-5-4-8-14(22)18(27)23-15(9-10-17(25)26)19(28)24-16(20(29)30)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][C@@H:16]([C:20](=[O:29])[OH:30])[N:24]=[C:19]([C@H:15]([CH2:9][CH2:10][C:17](=[O:25])[OH:26])[N:23]=[C:18]([C@H:14]([CH2:8][CH2:4][CH2:5][CH2:11][NH2:21])[NH2:22])[OH:27])[OH:28])[CH:7]=[CH:3]1 |
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