| Properties | Image |
|---|
| MNX_ID | MNXM1124556 |
 |
| reference | chebi:161961 |
| formula | C24H31N3O5 |
| global charge | 0 |
| mol weight | 441.528 |
| InChIKey | ZYNBEWGJFXTBDU-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H31N3O5/c1-15(2)12-21(24(31)32)27-23(30)20(14-17-8-10-18(28)11-9-17)26-22(29)19(25)13-16-6-4-3-5-7-16/h3-11,15,19-21,28H,12-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t19-,20-,21-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O5/c1-15(2)12-21(24(31)32)27-23(30)20(14-17-8-10-18(28)11-9-17)26-22(29)19(25)13-16-6-4-3-5-7-16/h3-11,15,19-21,28H,12-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[CH2:12][C@@H:21]([C:24](=[O:31])[OH:32])[N:27]=[C:23]([C@H:20]([CH2:14][C:17]1=[CH:9][CH:11]=[C:18]([OH:28])[CH:10]=[CH:8]1)[N:26]=[C:22]([C@H:19]([CH2:13][C:16]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[NH2:25])[OH:29])[OH:30] |
|