| Properties | Image |
| MNX_ID | MNXM1126290 |
 |
| reference | chebi:163704 |
| formula | C15H18N4O4 |
| global charge | 0 |
| mol weight | 318.333 |
| InChIKey | UPADCCSMVOQAGF-LBPRGKRZSA-N |
| InChI | InChI=1S/C15H18N4O4/c16-6-13(20)18-8-14(21)19-12(15(22)23)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,20)(H,19,21)(H,22,23)/t12-/m0/s1 |
| SMILES | NCC(=O)NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H18N4O4/c16-6-13(20)18-8-14(21)19-12(15(22)23)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,20)(H,19,21)(H,22,23)/t12-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]2[C:10](=[CH:3]1)[C:9]([CH2:5][C@@H:12]([C:15](=[O:22])[OH:23])[N:19]=[C:14]([CH2:8][N:18]=[C:13]([CH2:6][NH2:16])[OH:20])[OH:21])=[CH:7][NH:17]2 |
|