| Properties | Image |
|---|
| MNX_ID | MNXM1122188 |
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| reference | chebi:159579 |
| formula | C22H30N4O4 |
| global charge | 0 |
| mol weight | 414.506 |
| InChIKey | ONHCDMBHPQIPAI-YTQUADARSA-N |
| InChI | InChI=1S/C22H30N4O4/c1-13(2)10-16(23)20(27)25-18(21(28)26-9-5-8-19(26)22(29)30)11-14-12-24-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,24H,5,8-11,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,18-,19+/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H30N4O4/c1-13(2)10-16(23)20(27)25-18(21(28)26-9-5-8-19(26)22(29)30)11-14-12-24-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,24H,5,8-11,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,18-,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:10][C@@H:16]([C:20](=[N:25][C@@H:18]([CH2:11][C:14]1=[CH:12][NH:24][C:17]2=[CH:7][CH:4]=[CH:3][CH:6]=[C:15]12)[C:21]([N:26]1[CH2:9][CH2:5][CH2:8][C@@H:19]1[C:22](=[O:29])[OH:30])=[O:28])[OH:27])[NH2:23] |
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