| Properties | Image |
|---|
| MNX_ID | MNXM744936 |
 |
| reference | biggM:trpglyval |
| formula | C18H24N4O4 |
| global charge | 0 |
| mol weight | 360.414 |
| InChIKey | WSGPBCAGEGHKQJ-CZUORRHYSA-N |
| InChI | InChI=1S/C18H24N4O4/c1-10(2)16(18(25)26)22-15(23)9-21-17(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8,10,13,16,20H,7,9,19H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t13-,16-/m1/s1 |
| SMILES | CC(C)[C@@H](NC(=O)CNC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O4/c1-10(2)16(18(25)26)22-15(23)9-21-17(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8,10,13,16,20H,7,9,19H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t13-,16-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@H:16]([C:18](=[O:25])[OH:26])[N:22]=[C:15]([CH2:9][N:21]=[C:17]([C@@H:13]([CH2:7][C:11]1=[CH:8][NH:20][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[NH2:19])[OH:24])[OH:23] |
|