| Properties | Image |
|---|
| MNX_ID | MNXM1127427 |
 |
| reference | chebi:164853 |
| formula | C18H24N4O5 |
| global charge | 0 |
| mol weight | 376.413 |
| InChIKey | YCQXZDHDSUHUSG-FJHTZYQYSA-N |
| InChI | InChI=1S/C18H24N4O5/c1-9(18(26)27)21-17(25)15(10(2)23)22-16(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8-10,13,15,20,23H,7,19H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t9-,10+,13-,15-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O5/c1-9(18(26)27)21-17(25)15(10(2)23)22-16(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8-10,13,15,20,23H,7,19H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t9-,10+,13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:18](=[O:26])[OH:27])[N:21]=[C:17]([C@H:15]([C@@H:10]([CH3:2])[OH:23])[N:22]=[C:16]([C@H:13]([CH2:7][C:11]1=[CH:8][NH:20][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[NH2:19])[OH:24])[OH:25] |
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