| Properties | Image |
|---|
| MNX_ID | MNXM1122173 |
 |
| reference | chebi:159563 |
| formula | C22H30N4O6 |
| global charge | 0 |
| mol weight | 446.504 |
| InChIKey | WGAZVKFCPHXZLO-SZMVWBNQSA-N |
| InChI | InChI=1S/C22H30N4O6/c1-12(2)9-15(23)20(29)26-18(10-13-11-24-16-6-4-3-5-14(13)16)21(30)25-17(22(31)32)7-8-19(27)28/h3-6,11-12,15,17-18,24H,7-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H30N4O6/c1-12(2)9-15(23)20(29)26-18(10-13-11-24-16-6-4-3-5-14(13)16)21(30)25-17(22(31)32)7-8-19(27)28/h3-6,11-12,15,17-18,24H,7-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:9][C@@H:15]([C:20](=[N:26][C@@H:18]([CH2:10][C:13]1=[CH:11][NH:24][C:16]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:14]12)[C:21](=[N:25][C@@H:17]([CH2:7][CH2:8][C:19](=[O:27])[OH:28])[C:22](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:23] |
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