| Properties | Image |
|---|
| MNX_ID | MNXM167993 |
 |
| reference | metacycM:CPD-18940 |
| formula | C18H20N4O4 |
| global charge | 0 |
| mol weight | 356.382 |
| InChIKey | WVNDGYFKARVYFG-VTFVAFMWSA-O |
| InChI | InChI=1S/C18H19N4O4/c1-10(12-9-21-14-7-3-2-5-11(12)14)15-16(23)22-18(26-15)20-8-4-6-13(19)17(24)25/h2-5,7-10,13,21H,6,19H2,1H3,(H,24,25)(H,20,22,23)/q-1/p+1/b8-4+/t10-,13+/m1/s1 |
| SMILES | C[C@H](C1=CNC2=C1C=CC=C2)[C-]1OC(N/C=C/C[C@H]([NH3+])C(=O)[O-])=[NH+]C1=O |
MNX internals
| InChI (mnx) | InChI=1/C18H19N4O4/c1-10(12-9-21-14-7-3-2-5-11(12)14)15-16(23)22-18(26-15)20-8-4-6-13(19)17(24)25/h2-5,7-10,13,21H,6,19H2,1H3,(H,24,25)(H,20,22,23)/q-1/b8-4+/t10-,13+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]([C:12]1=[CH:9][NH:21][C:14]2=[CH:7][CH:3]=[CH:2][CH:5]=[C:11]12)[C-:15]1[C:16](=[O:23])[NH:22]/[C:18](=[N:20]/[CH:8]=[CH:4]/[CH2:6][C@@H:13]([C:17](=[O:24])[OH:25])[NH2:19])[O:26]1 |
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