| Properties | Image |
|---|
| MNX_ID | MNXM1122081 |
 |
| reference | chebi:159470 |
| formula | C20H32N6O5 |
| global charge | 0 |
| mol weight | 436.513 |
| InChIKey | WHLDJYNHXOMGMU-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H32N6O5/c1-11(2)16(26-17(28)14(21)4-3-9-24-20(22)23)18(29)25-15(19(30)31)10-12-5-7-13(27)8-6-12/h5-8,11,14-16,27H,3-4,9-10,21H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)(H4,22,23,24)/t14-,15-,16-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N6O5/c1-11(2)16(26-17(28)14(21)4-3-9-24-20(22)23)18(29)25-15(19(30)31)10-12-5-7-13(27)8-6-12/h5-8,11,14-16,27H,3-4,9-10,21H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)(H4,22,23,24)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[C@@H:16]([C:18](=[N:25][C@@H:15]([CH2:10][C:12]1=[CH:6][CH:8]=[C:13]([OH:27])[CH:7]=[CH:5]1)[C:19](=[O:30])[OH:31])[OH:29])[N:26]=[C:17]([C@H:14]([CH2:4][CH2:3][CH2:9][NH:24][C:20](=[NH:22])[NH2:23])[NH2:21])[OH:28] |
|