| Properties | Image |
|---|
| MNX_ID | MNXM1121288 |
 |
| reference | chebi:158675 |
| formula | C19H26N4O4 |
| global charge | 0 |
| mol weight | 374.441 |
| InChIKey | SSQHYGLFYWZWDV-UVBJJODRSA-N |
| InChI | InChI=1S/C19H26N4O4/c1-10(2)16(23-17(24)11(3)20)18(25)22-15(19(26)27)8-12-9-21-14-7-5-4-6-13(12)14/h4-7,9-11,15-16,21H,8,20H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t11-,15-,16-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O4/c1-10(2)16(23-17(24)11(3)20)18(25)22-15(19(26)27)8-12-9-21-14-7-5-4-6-13(12)14/h4-7,9-11,15-16,21H,8,20H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t11-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:16]([C:18](=[N:22][C@@H:15]([CH2:8][C:12]1=[CH:9][NH:21][C:14]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:13]12)[C:19](=[O:26])[OH:27])[OH:25])[N:23]=[C:17]([C@H:11]([CH3:3])[NH2:20])[OH:24] |
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