| Properties | Image |
|---|
| MNX_ID | MNXM1127057 |
 |
| reference | chebi:164474 |
| formula | C18H23N5O5 |
| global charge | 0 |
| mol weight | 389.412 |
| InChIKey | RNFZZCMCRDFNAE-WFBYXXMGSA-N |
| InChI | InChI=1S/C18H23N5O5/c1-9(18(27)28)22-17(26)14(7-15(20)24)23-16(25)12(19)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t9-,12-,14-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O5/c1-9(18(27)28)22-17(26)14(7-15(20)24)23-16(25)12(19)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t9-,12-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:18](=[O:27])[OH:28])[N:22]=[C:17]([C@H:14]([CH2:7][C:15](=[NH:20])[OH:24])[N:23]=[C:16]([C@H:12]([CH2:6][C:10]1=[CH:8][NH:21][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[NH2:19])[OH:25])[OH:26] |
|