| Properties | Image |
|---|
| MNX_ID | MNXM1122774 |
 |
| reference | chebi:160169 |
| formula | C20H25N5O7 |
| global charge | 0 |
| mol weight | 447.448 |
| InChIKey | FHCRKXCTKSHNOE-QEJZJMRPSA-N |
| InChI | InChI=1S/C20H25N5O7/c21-12(8-16(22)26)18(29)25-15(7-10-9-23-13-4-2-1-3-11(10)13)19(30)24-14(20(31)32)5-6-17(27)28/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,30)(H,25,29)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O7/c21-12(8-16(22)26)18(29)25-15(7-10-9-23-13-4-2-1-3-11(10)13)19(30)24-14(20(31)32)5-6-17(27)28/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,30)(H,25,29)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:15]([C:19](=[N:24][C@@H:14]([CH2:5][CH2:6][C:17](=[O:27])[OH:28])[C:20](=[O:31])[OH:32])[OH:30])[N:25]=[C:18]([C@H:12]([CH2:8][C:16](=[NH:22])[OH:26])[NH2:21])[OH:29])=[CH:9][NH:23]2 |
|