| Properties | Image |
| MNX_ID | MNXM744941 |
 |
| reference | biggM:trplys |
| formula | C17H25N4O3 |
| global charge | 1 |
| mol weight | 333.412 |
| InChIKey | DZHDVYLBNKMLMB-HIFRSBDPSA-O |
| InChI | InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/p+1/t13-,15+/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/t13-,15+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]2[C:12](=[CH:5]1)[C:11]([CH2:9][C@H:13]([C:16](=[N:21][C@@H:15]([CH2:7][CH2:3][CH2:4][CH2:8][NH2:18])[C:17](=[O:23])[OH:24])[OH:22])[NH2:19])=[CH:10][NH:20]2 |
|