| Properties | Image |
|---|
| MNX_ID | MNXM128030 |
 |
| reference | chebi:6874 |
| formula | C24H29N3O6 |
| global charge | 0 |
| mol weight | 455.511 |
| InChIKey | NOFOWWRHEPHDCY-DAUURJMHSA-N |
| InChI | InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1 |
| SMILES | CC[C@@H](CO)NC(=O)[C@@H]1C=C2C3=C4C(=CNC4=CC=C3)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@@H:14]([CH2:11][OH:24])[N:22]=[C:20]([C@@H:13]1[CH:7]=[C:16]2[C:15]3=[C:19]4[C:12](=[CH:9][NH:21][C:17]4=[CH:6][CH:4]=[CH:5]3)[CH2:8][C@H:18]2[N:23]([CH3:2])[CH2:10]1)[OH:25].[CH:26](=[CH:27]\[C:29](=[O:32])[OH:33])\[C:28](=[O:30])[OH:31] |
|