| Properties | Image |
|---|
| MNX_ID | MNXM1122715 |
 |
| reference | chebi:160109 |
| formula | C18H23N5O6 |
| global charge | 0 |
| mol weight | 405.411 |
| InChIKey | XHTUGJCAEYOZOR-UBHSHLNASA-N |
| InChI | InChI=1S/C18H23N5O6/c19-11(6-15(20)25)16(26)23-14(8-24)17(27)22-13(18(28)29)5-9-7-21-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,21,24H,5-6,8,19H2,(H2,20,25)(H,22,27)(H,23,26)(H,28,29)/t11-,13-,14-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O6/c19-11(6-15(20)25)16(26)23-14(8-24)17(27)22-13(18(28)29)5-9-7-21-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,21,24H,5-6,8,19H2,(H2,20,25)(H,22,27)(H,23,26)(H,28,29)/t11-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]2[C:10](=[CH:3]1)[C:9]([CH2:5][C@@H:13]([C:18](=[O:28])[OH:29])[N:22]=[C:17]([C@H:14]([CH2:8][OH:24])[N:23]=[C:16]([C@H:11]([CH2:6][C:15](=[NH:20])[OH:25])[NH2:19])[OH:26])[OH:27])=[CH:7][NH:21]2 |
|