| Properties | Image |
|---|
| MNX_ID | MNXM1122874 |
 |
| reference | chebi:160271 |
| formula | C20H27N5O5 |
| global charge | 0 |
| mol weight | 417.466 |
| InChIKey | QXNGSPZMGFEZNO-QRTARXTBSA-N |
| InChI | InChI=1S/C20H27N5O5/c1-10(2)17(25-18(27)13(21)8-16(22)26)19(28)24-15(20(29)30)7-11-9-23-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,23H,7-8,21H2,1-2H3,(H2,22,26)(H,24,28)(H,25,27)(H,29,30)/t13-,15-,17-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H27N5O5/c1-10(2)17(25-18(27)13(21)8-16(22)26)19(28)24-15(20(29)30)7-11-9-23-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,23H,7-8,21H2,1-2H3,(H2,22,26)(H,24,28)(H,25,27)(H,29,30)/t13-,15-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:17]([C:19](=[N:24][C@@H:15]([CH2:7][C:11]1=[CH:9][NH:23][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[C:20](=[O:29])[OH:30])[OH:28])[N:25]=[C:18]([C@H:13]([CH2:8][C:16](=[NH:22])[OH:26])[NH2:21])[OH:27] |
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