| Properties | Image |
|---|
| MNX_ID | MNXM1122179 |
 |
| reference | chebi:159569 |
| formula | C23H34N4O4 |
| global charge | 0 |
| mol weight | 430.549 |
| InChIKey | YLMIDMSLKLRNHX-HSCHXYMDSA-N |
| InChI | InChI=1S/C23H34N4O4/c1-5-14(4)20(23(30)31)27-22(29)19(26-21(28)17(24)10-13(2)3)11-15-12-25-18-9-7-6-8-16(15)18/h6-9,12-14,17,19-20,25H,5,10-11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t14-,17-,19-,20-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H34N4O4/c1-5-14(4)20(23(30)31)27-22(29)19(26-21(28)17(24)10-13(2)3)11-15-12-25-18-9-7-6-8-16(15)18/h6-9,12-14,17,19-20,25H,5,10-11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t14-,17-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:14]([CH3:4])[C@@H:20]([C:23](=[O:30])[OH:31])[N:27]=[C:22]([C@H:19]([CH2:11][C:15]1=[CH:12][NH:25][C:18]2=[CH:9][CH:7]=[CH:6][CH:8]=[C:16]12)[N:26]=[C:21]([C@H:17]([CH2:10][CH:13]([CH3:2])[CH3:3])[NH2:24])[OH:28])[OH:29] |
|