| Properties | Image |
|---|
| MNX_ID | MNXM1123585 |
 |
| reference | chebi:160986 |
| formula | C20H26N4O6 |
| global charge | 0 |
| mol weight | 418.45 |
| InChIKey | KNOGLZBISUBTFW-QRTARXTBSA-N |
| InChI | InChI=1S/C20H26N4O6/c1-10(2)17(20(29)30)24-19(28)15(23-18(27)13(21)8-16(25)26)7-11-9-22-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,22H,7-8,21H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,15-,17-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N4O6/c1-10(2)17(20(29)30)24-19(28)15(23-18(27)13(21)8-16(25)26)7-11-9-22-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,22H,7-8,21H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,15-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:17]([C:20](=[O:29])[OH:30])[N:24]=[C:19]([C@H:15]([CH2:7][C:11]1=[CH:9][NH:22][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[N:23]=[C:18]([C@H:13]([CH2:8][C:16](=[O:25])[OH:26])[NH2:21])[OH:27])[OH:28] |
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