| Properties | Image |
|---|
| MNX_ID | MNXM1121230 |
 |
| reference | chebi:158617 |
| formula | C18H23N5O5 |
| global charge | 0 |
| mol weight | 389.412 |
| InChIKey | VYMJAWXRWHJIMS-LKTVYLICSA-N |
| InChI | InChI=1S/C18H23N5O5/c1-10(19)16(25)22-14(6-11-2-4-13(24)5-3-11)17(26)23-15(18(27)28)7-12-8-20-9-21-12/h2-5,8-10,14-15,24H,6-7,19H2,1H3,(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t10-,14-,15-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O5/c1-10(19)16(25)22-14(6-11-2-4-13(24)5-3-11)17(26)23-15(18(27)28)7-12-8-20-9-21-12/h2-5,8-10,14-15,24H,6-7,19H2,1H3,(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t10-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:10]([C:16](=[N:22][C@@H:14]([CH2:6][C:11]1=[CH:3][CH:5]=[C:13]([OH:24])[CH:4]=[CH:2]1)[C:17](=[N:23][C@@H:15]([CH2:7][C:12]1=[CH:8][N:20]=[CH:9][NH:21]1)[C:18](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:19] |
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