| Properties | Image |
| MNX_ID | MNXM1122498 |
 |
| reference | chebi:159891 |
| formula | C16H26N6O5 |
| global charge | 0 |
| mol weight | 382.421 |
| InChIKey | MYCSPQIARXTUTP-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H26N6O5/c1-8(2)3-11(21-14(24)10(17)5-13(18)23)15(25)22-12(16(26)27)4-9-6-19-7-20-9/h6-8,10-12H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,24)(H,22,25)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O5/c1-8(2)3-11(21-14(24)10(17)5-13(18)23)15(25)22-12(16(26)27)4-9-6-19-7-20-9/h6-8,10-12H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,24)(H,22,25)(H,26,27)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:3][C@@H:11]([C:15](=[N:22][C@@H:12]([CH2:4][C:9]1=[CH:6][N:19]=[CH:7][NH:20]1)[C:16](=[O:26])[OH:27])[OH:25])[N:21]=[C:14]([C@H:10]([CH2:5][C:13](=[NH:18])[OH:23])[NH2:17])[OH:24] |
|