| Properties | Image |
|---|
| MNX_ID | MNXM1121194 |
 |
| reference | chebi:158581 |
| formula | C20H28N4O4 |
| global charge | 0 |
| mol weight | 388.468 |
| InChIKey | YXXPVUOMPSZURS-ZLIFDBKOSA-N |
| InChI | InChI=1S/C20H28N4O4/c1-11(2)8-17(20(27)28)24-19(26)16(23-18(25)12(3)21)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10-12,16-17,22H,8-9,21H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)/t12-,16-,17-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](C)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H28N4O4/c1-11(2)8-17(20(27)28)24-19(26)16(23-18(25)12(3)21)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10-12,16-17,22H,8-9,21H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)/t12-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:17]([C:20](=[O:27])[OH:28])[N:24]=[C:19]([C@H:16]([CH2:9][C:13]1=[CH:10][NH:22][C:15]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:14]12)[N:23]=[C:18]([C@H:12]([CH3:3])[NH2:21])[OH:25])[OH:26] |
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