| Properties | Image |
|---|
| MNX_ID | MNXM744929 |
 |
| reference | biggM:trpglugly |
| formula | C18H21N4O6 |
| global charge | -1 |
| mol weight | 389.388 |
| InChIKey | VMBBTANKMSRJSS-OCCSQVGLSA-M |
| InChI | InChI=1S/C18H22N4O6/c19-12(7-10-8-20-13-4-2-1-3-11(10)13)17(27)22-14(5-6-15(23)24)18(28)21-9-16(25)26/h1-4,8,12,14,20H,5-7,9,19H2,(H,21,28)(H,22,27)(H,23,24)(H,25,26)/p-1/t12-,14+/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H22N4O6/c19-12(7-10-8-20-13-4-2-1-3-11(10)13)17(27)22-14(5-6-15(23)24)18(28)21-9-16(25)26/h1-4,8,12,14,20H,5-7,9,19H2,(H,21,28)(H,22,27)(H,23,24)(H,25,26)/t12-,14+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@H:12]([C:17](=[N:22][C@@H:14]([CH2:5][CH2:6][C:15](=[O:23])[OH:24])[C:18](=[N:21][CH2:9][C:16](=[O:25])[OH:26])[OH:28])[OH:27])[NH2:19])=[CH:8][NH:20]2 |
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