| Properties | Image |
|---|
| MNX_ID | MNXM1127382 |
 |
| reference | chebi:164807 |
| formula | C25H28N4O4 |
| global charge | 0 |
| mol weight | 448.523 |
| InChIKey | CSOBBJWWODOYGW-ILWGZMRPSA-N |
| InChI | InChI=1S/C25H28N4O4/c26-19(14-17-15-27-20-10-5-4-9-18(17)20)23(30)28-21(13-16-7-2-1-3-8-16)24(31)29-12-6-11-22(29)25(32)33/h1-5,7-10,15,19,21-22,27H,6,11-14,26H2,(H,28,30)(H,32,33)/t19-,21-,22+/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H28N4O4/c26-19(14-17-15-27-20-10-5-4-9-18(17)20)23(30)28-21(13-16-7-2-1-3-8-16)24(31)29-12-6-11-22(29)25(32)33/h1-5,7-10,15,19,21-22,27H,6,11-14,26H2,(H,28,30)(H,32,33)/t19-,21-,22+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:16]([CH2:13][C@@H:21]([C:24]([N:29]2[CH2:12][CH2:6][CH2:11][C@@H:22]2[C:25](=[O:32])[OH:33])=[O:31])[N:28]=[C:23]([C@H:19]([CH2:14][C:17]2=[CH:15][NH:27][C:20]3=[CH:10][CH:5]=[CH:4][CH:9]=[C:18]23)[NH2:26])[OH:30])[CH:8]=[CH:3]1 |
|