| Properties | Image |
|---|
| MNX_ID | MNXM1125306 |
 |
| reference | chebi:162717 |
| formula | C22H30N4O4 |
| global charge | 0 |
| mol weight | 414.506 |
| InChIKey | YIPFBJGBRCJJJD-FHWLQOOXSA-N |
| InChI | InChI=1S/C22H30N4O4/c1-13(2)10-19(22(29)30)26-21(28)18(25-20(27)17-8-5-9-23-17)11-14-12-24-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-19,23-24H,5,8-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18-,19-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H30N4O4/c1-13(2)10-19(22(29)30)26-21(28)18(25-20(27)17-8-5-9-23-17)11-14-12-24-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-19,23-24H,5,8-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:10][C@@H:19]([C:22](=[O:29])[OH:30])[N:26]=[C:21]([C@H:18]([CH2:11][C:14]1=[CH:12][NH:24][C:16]2=[CH:7][CH:4]=[CH:3][CH:6]=[C:15]12)[N:25]=[C:20]([C@@H:17]1[CH2:8][CH2:5][CH2:9][NH:23]1)[OH:27])[OH:28] |
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