| Properties | Image |
|---|
| MNX_ID | MNXM1121673 |
 |
| reference | chebi:159062 |
| formula | C19H27N3O6 |
| global charge | 0 |
| mol weight | 393.44 |
| InChIKey | JQSXWJXBASFONF-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H27N3O6/c1-11(2)8-13(20)17(25)21-14(10-16(23)24)18(26)22-15(19(27)28)9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O6/c1-11(2)8-13(20)17(25)21-14(10-16(23)24)18(26)22-15(19(27)28)9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:13]([C:17](=[N:21][C@@H:14]([CH2:10][C:16](=[O:23])[OH:24])[C:18](=[N:22][C@@H:15]([CH2:9][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:19](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:20] |
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