| Properties | Image |
|---|
| MNX_ID | MNXM1121206 |
 |
| reference | chebi:158593 |
| formula | C18H24N4O5 |
| global charge | 0 |
| mol weight | 376.413 |
| InChIKey | SFPRJVVDZNLUTG-OWLDWWDNSA-N |
| InChI | InChI=1S/C18H24N4O5/c1-9(19)16(24)21-14(17(25)22-15(10(2)23)18(26)27)7-11-8-20-13-6-4-3-5-12(11)13/h3-6,8-10,14-15,20,23H,7,19H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)/t9-,10+,14-,15-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O5/c1-9(19)16(24)21-14(17(25)22-15(10(2)23)18(26)27)7-11-8-20-13-6-4-3-5-12(11)13/h3-6,8-10,14-15,20,23H,7,19H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)/t9-,10+,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:16](=[N:21][C@@H:14]([CH2:7][C:11]1=[CH:8][NH:20][C:13]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[C:17](=[N:22][C@@H:15]([C@@H:10]([CH3:2])[OH:23])[C:18](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:19] |
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