| Properties | Image |
|---|
| MNX_ID | MNXM1121081 |
 |
| reference | chebi:158468 |
| formula | C18H31N5O4 |
| global charge | 0 |
| mol weight | 381.477 |
| InChIKey | KOPIAUWNLKKELG-SIGLWIIPSA-N |
| InChI | InChI=1S/C18H31N5O4/c1-5-10(3)14(19)17(25)22-13(7-12-8-20-9-21-12)16(24)23-15(18(26)27)11(4)6-2/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t10-,11-,13-,14-,15-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C18H31N5O4/c1-5-10(3)14(19)17(25)22-13(7-12-8-20-9-21-12)16(24)23-15(18(26)27)11(4)6-2/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t10-,11-,13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:10]([CH3:3])[C@@H:14]([C:17](=[N:22][C@@H:13]([CH2:7][C:12]1=[CH:8][N:20]=[CH:9][NH:21]1)[C:16](=[N:23][C@@H:15]([C@@H:11]([CH3:4])[CH2:6][CH3:2])[C:18](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:19] |
|