| Properties | Image |
|---|
| MNX_ID | MNXM1122812 |
 |
| reference | chebi:160208 |
| formula | C18H24N4O8 |
| global charge | 0 |
| mol weight | 424.41 |
| InChIKey | NSTBNYOKCZKOMI-AVGNSLFASA-N |
| InChI | InChI=1S/C18H24N4O8/c19-11(8-14(20)24)16(27)22-13(7-9-1-3-10(23)4-2-9)17(28)21-12(18(29)30)5-6-15(25)26/h1-4,11-13,23H,5-8,19H2,(H2,20,24)(H,21,28)(H,22,27)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O8/c19-11(8-14(20)24)16(27)22-13(7-9-1-3-10(23)4-2-9)17(28)21-12(18(29)30)5-6-15(25)26/h1-4,11-13,23H,5-8,19H2,(H2,20,24)(H,21,28)(H,22,27)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:23])=[CH:4][CH:2]=[C:9]1[CH2:7][C@@H:13]([C:17](=[N:21][C@@H:12]([CH2:5][CH2:6][C:15](=[O:25])[OH:26])[C:18](=[O:29])[OH:30])[OH:28])[N:22]=[C:16]([C@H:11]([CH2:8][C:14](=[NH:20])[OH:24])[NH2:19])[OH:27] |
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