| Properties | Image |
|---|
| MNX_ID | MNXM1126874 |
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| reference | chebi:164291 |
| formula | C20H26N4O7 |
| global charge | 0 |
| mol weight | 434.449 |
| InChIKey | XGUAUKUYQHBUNY-SWRJLBSHSA-N |
| InChI | InChI=1S/C20H26N4O7/c1-10(25)17(21)19(29)24-15(8-11-9-22-13-5-3-2-4-12(11)13)18(28)23-14(20(30)31)6-7-16(26)27/h2-5,9-10,14-15,17,22,25H,6-8,21H2,1H3,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t10-,14+,15+,17+/m1/s1 |
| SMILES | C[C@@H](O)[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/C20H26N4O7/c1-10(25)17(21)19(29)24-15(8-11-9-22-13-5-3-2-4-12(11)13)18(28)23-14(20(30)31)6-7-16(26)27/h2-5,9-10,14-15,17,22,25H,6-8,21H2,1H3,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t10-,14+,15+,17+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]([C@@H:17]([C:19](=[N:24][C@@H:15]([CH2:8][C:11]1=[CH:9][NH:22][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[C:18](=[N:23][C@@H:14]([CH2:6][CH2:7][C:16](=[O:26])[OH:27])[C:20](=[O:30])[OH:31])[OH:28])[OH:29])[NH2:21])[OH:25] |
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