| Properties | Image |
|---|
| MNX_ID | MNXM152567 |
 |
| reference | keggD:D07503 |
| formula | C22H28N4O5 |
| global charge | 0 |
| mol weight | 428.489 |
| InChIKey | OCOCFNMFLNFNIA-ZSCHJXSPSA-N |
| InChI | InChI=1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1 |
| SMILES | O=C([O-])COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C21.[NH3+]CCCC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1 |
 |
| SMILES (mnx) | [CH2:22]([CH2:23][CH2:25][NH2:28])[CH2:24][C@@H:26]([C:27](=[O:30])[OH:31])[NH2:29].[CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][N:18]2[C:14]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:13]3[C:16]([O:21][CH2:11][C:15](=[O:19])[OH:20])=[N:17]2)[CH:7]=[CH:3]1 |
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