| Properties | Image |
|---|
| MNX_ID | MNXM1127339 |
 |
| reference | chebi:164762 |
| formula | C23H35N5O4 |
| global charge | 0 |
| mol weight | 445.564 |
| InChIKey | NWQCKAPDGQMZQN-IHPCNDPISA-N |
| InChI | InChI=1S/C23H35N5O4/c1-14(2)11-20(23(31)32)28-22(30)19(9-5-6-10-24)27-21(29)17(25)12-15-13-26-18-8-4-3-7-16(15)18/h3-4,7-8,13-14,17,19-20,26H,5-6,9-12,24-25H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t17-,19-,20-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H35N5O4/c1-14(2)11-20(23(31)32)28-22(30)19(9-5-6-10-24)27-21(29)17(25)12-15-13-26-18-8-4-3-7-16(15)18/h3-4,7-8,13-14,17,19-20,26H,5-6,9-12,24-25H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t17-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:11][C@@H:20]([C:23](=[O:31])[OH:32])[N:28]=[C:22]([C@H:19]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:24])[N:27]=[C:21]([C@H:17]([CH2:12][C:15]1=[CH:13][NH:26][C:18]2=[CH:8][CH:4]=[CH:3][CH:7]=[C:16]12)[NH2:25])[OH:29])[OH:30] |
|